Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 11/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 11/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5165779 | 0.88 | OPRM1 (0.51) | OPRM1OPRL1OPRK1GRIN2B | |
| SCHEMBL5165079 | 0.85 | OPRM1 (0.65) | OPRM1OPRL1OPRK1GRIN2BMEN1 | |
| Hydrochloric Acid SCHEMBL5164761 | 0.84 | OPRM1 (0.66) | OPRM1OPRL1OPRK1GRIN2BMEN1 | |
| SCHEMBL5167763 | 0.82 | OPRM1 (0.54) | OPRM1OPRL1OPRK1 | |
| SCHEMBL14028057 | 0.77 | OPRM1 (0.58) | OPRM1OPRL1OPRK1 | |
| SCHEMBL5164651 | 0.77 | OPRL1 (0.72) | OPRM1OPRL1OPRK1 | |
| SCHEMBL5164539 | 0.76 | OPRM1 (0.46) | OPRM1OPRL1OPRK1GRIN2BMEN1 | |
| SCHEMBL14601364 | 0.76 | OPRM1 (0.76) | OPRM1OPRL1OPRK1TAAR1 | |
| Hydrochloric Acid SCHEMBL5369759 | 0.76 | OPRM1 (0.47) | OPRM1OPRL1OPRK1GRIN2BMEN1 | |
| Hydrochloric Acid SCHEMBL5164843 | 0.76 | OPRM1 (0.47) | OPRM1OPRL1OPRK1GRIN2BMEN1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276518-B2 | Substituted cyclohexane-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-10-02 | — | — | US | disclosed |
| US-7217729-B2 | Substituted indoles, process for the production thereof and use thereof for combatting pain | GRUNENTHAL GMBH (DE) | 2007-05-15 | — | — | US | disclosed |
| EP-1392641-B1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-04-11 | — | — | EP | disclosed |
| EP-1472221-B1 | SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN | GRUENENTHAL GMBH (DE) | 2006-03-22 | — | — | EP | disclosed |
| US-20040229872-A1 | Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity | GRUENENTHAL GMBH (DE) | 2004-11-18 | — | — | US | disclosed |
| US-20040225003-A1 | 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies | GRUNENTHAL GMBH (DE) | 2004-11-11 | — | — | US | disclosed |
| EP-1472221-A2 | SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN | Grünenthal GmbH (DE) | 2004-11-03 | — | — | EP | disclosed |
| US-20040162287-A1 | Substituted cyclohexane-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2004-08-19 | — | — | US | disclosed |
| EP-1392641-A1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2004-03-03 | — | — | EP | disclosed |
| EP-1385493-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2003037863-A2 | SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN | Grünenthal GmbH (DE) | 2003-05-08 | — | — | WO | disclosed |
| WO-2002090317-A1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | WO | disclosed |
| WO-2002089783-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | 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 (3 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-20040162287-A1 | Substituted cyclohexane-1,4-diamine compounds | DPYD, DDC, QDPR | OPRM1 459/4885OPRL1 1102/4885OPRK1 274/4885 |
| US-20040225003-A1 | 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies | HNMT, HTR6, HTR3C | OPRM1 287/4885OPRL1 329/4885OPRK1 76/4885 |
| US-20040229872-A1 | Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity | ARG1, CD2, PDCD1 | OPRM1 250/4885OPRL1 41/4885OPRK1 19/4885 |
“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.