SCHEMBL20029

SCHEMBL20029

[c]1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
LTA4H P09960 1/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
HTR2A P28223 1/20 0.58
SCN1A P35498 1/20 0.58
HTR2B P41595 1/20 0.58
KCNH2 Q12809 1/20 0.58
SCN2A Q99250 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SCN3A Q9NY46 1/20 0.58

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1442766 0.92 HRH3 (0.69) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL3141711 0.91 NPC1 (0.72) NPC1RAB9ALTA4HCA12CA1
SCHEMBL159557 0.84 PSMB1 (0.62) LTA4HHRH3KDM4E
SCHEMBL3141155 0.83 HRH3 (0.73) NPC1RAB9AALDH1A1MAPK1CYP1A2
SCHEMBL5114639 0.83 PSMB1 (0.65) LTA4HHRH3KDM4E
SCHEMBL188519 0.83 PSMB1 (0.65) LTA4HHRH3KDM4E
SCHEMBL14577989 0.83 NPC1 (0.69) NPC1RAB9ALTA4HCA12CA1
SCHEMBL6452945 0.83 NPC1 (0.79) NPC1RAB9ALTA4HCA12CA1
SCHEMBL11088046 0.83 ESR1 (0.46) NPC1RAB9ALTA4HCA12CA1
Hydrochloric Acid SCHEMBL7819689 0.83 PSMB1 (0.60) LTA4HHRH3KDM4E

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 492 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 US claimed
WO-2020011243-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-16 WO claimed
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 US claimed
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US claimed
US-9024038-B2 Compunds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2015-05-05 US claimed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
JP-4809830-B2 2011-11-09 JP claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-6090797-A ADJUSTMENT OF GLUCOSE METABOLISM; HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2000-07-18 US claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
WO-2000014090-A1 4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE DERIVATIVES NOVO NORDISK A/S (DK) 2000-03-16 WO claimed
EP-0973778-A1 4,5,6,7-TETRAHYDRO-THIENO 3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-01-26 EP claimed
WO-1999045013-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-09-10 WO claimed
WO-1998040385-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-09-17 WO claimed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO claimed
EP-0518675-A2 Cyclic renin inhibitors MERCK & CO. INC. (US) 1992-12-16 EP claimed
EP-0431972-A2 Macrocyclic lactones having renin inhibiting properties MERCK & CO. INC. (US) 1991-06-12 EP claimed
US-3978055-A SEDATIVE, ANTIINFLAMMATORY, VASODILATION, BRONCHODILATION DELALANDE S.A. (FR) 1976-08-31 US claimed

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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 NPC1 423/4885RAB9A 2923/4885LTA4H 1850/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT NPC1 3478/4885RAB9A 660/4885LTA4H 1673/4885
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP NPC1 275/4885RAB9A 3248/4885LTA4H 423/4885
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP NPC1 275/4885RAB9A 3248/4885LTA4H 423/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR NPC1 1594/4885RAB9A 4134/4885LTA4H 2556/4885

“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.