Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5232869 | 0.99 | CCR5 (0.53) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL786038 | 0.93 | CCR5 (0.50) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL30752664 | 0.92 | SLC6A2 (0.57) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL10563476 | 0.92 | SLC6A2 (0.57) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL1906115 | 0.91 | SLC6A2 (0.56) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL13434086 | 0.90 | CCR5 (0.59) | CCR5L3MBTL1 | |
| SCHEMBL7131705 | 0.90 | SLC6A4 (0.53) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL7136595 | 0.89 | SLC6A4 (0.52) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL7133562 | 0.89 | SLC6A4 (0.52) | CCR5SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL6202628 | 0.88 | HTR2A (0.51) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680159-B2 | Bradykinin 1 receptor modulating compounds | GRUENENTHAL GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| US-8680159-B2 | Bradykinin 1 receptor modulating compounds | GRUENENTHAL GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| EP-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7589207-B2 | Cyclohexyl compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2009-09-15 | — | — | US | disclosed |
| WO-2004055010-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |
| WO-2004055012-A1 | INDANE COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |
| WO-2003042205-A1 | PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) | ASTRAZENECA AB (SE) | 2003-05-22 | — | — | WO | disclosed |
| US-6500844-B1 | PIPERIDINYL-1-METHYLCYCLOPENTANES AND STEREOISOMERS, USED AS ANTIINFLAMMATORY AND PROPHYLACTIC AGENTS AGAINST ALLERGIC RHINITIS, DERMATITIS, VISION DEFECTS, ASTHMA, ATHRITIS AND FOR PREVENTION OR DELAY OF AQUIRED IMMUNE DIFICIENCY SYNDROME | MERCK & CO., INC. | 2002-12-31 | — | — | US | disclosed |
| EP-1009405-A4 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-05-09 | — | — | EP | disclosed |
| EP-1009405-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999009984-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |
| US-4864023-A | MICROBIOCIDES, BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-09-05 | — | — | US | disclosed |
| US-4801584-A | ANTIMICROBIAL | HOFFMANN-LA ROCHE INC. (US) | 1989-01-31 | — | — | US | disclosed |
| EP-0259804-A2 | Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-16 | — | — | EP | 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 (1 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-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | CCR5 460/4885SLC6A2 1966/4885SLC6A4 1682/4885 |
“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.