Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | LTA4H | P09960 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA7 | P43166 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.62 |
| ▸ | SCN1A | P35498 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.62 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.62 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3240100 | 0.87 | BCHE (0.60) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL14577989 | 0.86 | NPC1 (0.69) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL1986761 | 0.84 | PSMB1 (0.67) | LTA4HHRH3KDM4E | |
| SCHEMBL374497 | 0.83 | LTA4H (0.67) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL2014076 | 0.83 | NPC1 (0.66) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL82383 | 0.83 | ALDH1A1 (0.67) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL14084486 | 0.83 | NPC1 (0.66) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL19560190 | 0.83 | LTA4H (0.67) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL1958165 | 0.83 | NPC1 (0.66) | NPC1RAB9ALTA4HCA12CA1 | |
| SCHEMBL29508217 | 0.83 | ALDH1A1 (0.88) | NPC1RAB9ALTA4HCA12CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 47 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070142379-A1 | CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | JAIN NARESHKUMAR F | 2007-06-21 | — | — | US | claimed |
| US-7183445-B2 | Cyclohexyl derivatives as selective estrogen receptor modulators | JANSSEN PHARMACEUTICA N.V (BE) | 2007-02-27 | — | — | US | claimed |
| EP-1633692-A2 | CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | claimed |
| US-20050009799-A1 | Cyclohexyl derivatives as selective estrogen receptor modulators | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-13 | — | — | US | claimed |
| WO-2005000775-A2 | CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-01-06 | — | — | WO | claimed |
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| US-6297274-B1 | SUBSTITUTED 5-HYDROXYFURANONES | WARNER-LAMBERT COMPANY | 2001-10-02 | — | — | US | claimed |
| EP-0707564-B1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMA INC (US) | 2000-09-20 | — | — | EP | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | claimed |
| US-5710286-A | Processes and intermediates for the preparation of cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-20 | — | — | US | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | claimed |
| WO-1997037985-A1 | NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY | WARNER-LAMBERT COMPANY (US) | 1997-10-16 | — | — | WO | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | claimed |
| WO-1996000728-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | claimed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | claimed |
| US-5466797-A | Intermediates for the preparation of cyclic urea | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-11-14 | — | — | US | claimed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | claimed |
| US-20140179702-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-06-26 | — | — | US | disclosed |
| US-8598211-B2 | Carboxamide compounds and their use as calpain inhibitors IV | ABBVIE INC. (US) | 2013-12-03 | — | — | US | disclosed |
| EP-2516415-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV | Abbott GmbH & Co. KG (DE) | 2012-10-31 | — | — | EP | disclosed |
| CN-102753541-A | Carboxamide compounds and their use as calpain inhibitors iv | ABBOTT GMBH & CO KG | 2012-10-24 | — | — | CN | disclosed |
| WO-2011076812-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV | ABBOTT GMBH & CO. KG (DE) | 2011-06-30 | — | — | WO | disclosed |
| US-20110152325-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV | ABBOTT GMBH & CO. KG (DE) | 2011-06-23 | — | — | US | disclosed |
| US-20090036650-A1 | Compounds and methods for peptide synthesis | BIOGEN IDEC MA INC. | 2009-02-05 | — | — | US | disclosed |
| US-20070142379-A1 | CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | JAIN NARESHKUMAR F | 2007-06-21 | — | — | US | disclosed |
| US-7183445-B2 | Cyclohexyl derivatives as selective estrogen receptor modulators | JANSSEN PHARMACEUTICA N.V (BE) | 2007-02-27 | — | — | US | disclosed |
| EP-1633692-A2 | CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | disclosed |
| US-20050009799-A1 | Cyclohexyl derivatives as selective estrogen receptor modulators | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-13 | — | — | US | disclosed |
| WO-2005000775-A2 | CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-01-06 | — | — | WO | disclosed |
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |
| US-6297274-B1 | SUBSTITUTED 5-HYDROXYFURANONES | WARNER-LAMBERT COMPANY | 2001-10-02 | — | — | US | disclosed |
| US-6054597-A | Processes and intermediates for the preparation of cyclic urea HIV protease inhibitors | DUPONT PHARMACEUTICALS (US) | 2000-04-25 | — | — | US | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| EP-0858999-A1 | Substituted cyclic carbonyls and derivatives thereof useful as retroviral protease inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5710286-A | Processes and intermediates for the preparation of cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | disclosed |
| WO-1997037985-A1 | NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY | WARNER-LAMBERT COMPANY (US) | 1997-10-16 | — | — | WO | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | disclosed |
| WO-1996000728-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |
| US-5466797-A | Intermediates for the preparation of cyclic urea | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-11-14 | — | — | US | disclosed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | disclosed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140179702-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV | CAPN2, CAPNS1, CAPN1 | NPC1 2467/4885RAB9A 3469/4885LTA4H 2240/4885 |
| US-20110152325-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV | CAPN2, CAPN1, CAPN9 | NPC1 1569/4885RAB9A 4104/4885LTA4H 2057/4885 |
| US-20090036650-A1 | Compounds and methods for peptide synthesis | PTMS, NPPA, DNPEP | NPC1 2508/4885RAB9A 3121/4885LTA4H 2593/4885 |
| US-20050009799-A1 | Cyclohexyl derivatives as selective estrogen receptor modulators | ESR2, GPER1, ESR1 | NPC1 645/4885RAB9A 3529/4885LTA4H 1789/4885 |
| US-20070142379-A1 | CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | ESR2, GPER1, ESR1 | NPC1 645/4885RAB9A 3529/4885LTA4H 1789/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.