Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL735917 | 0.99 | MPO (0.40) | MPOHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL733634 | 0.87 | HTR2A (0.43) | MPOHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL734696 | 0.86 | HTR2A (0.42) | MPOHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL735002 | 0.84 | KDM4E (0.35) | MPOKDM4ESIGMAR1 | |
| SCHEMBL735384 | 0.84 | KDM4E (0.38) | KDM4ESIGMAR1TLR9TLR8TLR7 | |
| SCHEMBL734216 | 0.84 | APOL1 (0.32) | MPOHTR2AHTR2CDRD2KDM4E | |
| SCHEMBL735401 | 0.82 | OPRM1 (0.39) | MPOHTR2AHTR2CCNR1KDM4E | |
| SCHEMBL735995 | 0.81 | OPRM1 (0.46) | MPOHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL734232 | 0.81 | DRD2 (0.33) | HTR2AHTR2CDRD2KDM4E | |
| SCHEMBL733706 | 0.80 | OPRM1 (0.47) | MPOHTR2AHTR2CDRD2HTR1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | claimed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | claimed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | claimed |
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | 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 (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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | MPO 4308/4885HTR2A 238/4885HTR2C 118/4885 |
“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.