Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3820831 | 0.89 | CYP2A6 (0.44) | CYP2A6CYP2C19CYP2D6CHRNB2CHRNA4 | |
| SCHEMBL3823962 | 0.81 | CHRM1 (0.50) | CYP2A6CYP2C19CYP2D6CHRNB2CHRNA4 | |
| SCHEMBL3819127 | 0.81 | CYP11B1 (0.53) | CYP2A6CYP2C19CYP2D6CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL5456114 | 0.80 | CHRM1 (0.49) | CYP2A6CYP2C19CYP2D6CHRNB2CHRNA4 | |
| SCHEMBL3821113 | 0.79 | CYP11B1 (0.48) | CYP2A6CYP2C19CYP2D6CHRNB2CHRNA4 | |
| SCHEMBL7610280 | 0.78 | PTGS2 (0.37) | CYP2D6KDM4EGAACHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL5457486 | 0.78 | CYP11B1 (0.47) | CYP2A6CYP2C19CYP2D6CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL8018678 | 0.77 | ALDH1A1 (0.38) | CYP2D6MAOBKDM4EGAACHRM2 | |
| SCHEMBL7605957 | 0.76 | ESR1 (0.52) | MAOBKDM4EGAACYP19A1ALDH1A1 | |
| SCHEMBL3823892 | 0.75 | CYP2A6 (0.45) | CYP2A6CYP2C19CYP2D6CHRNB2CHRNA4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1758860-B1 | SATURATED AND UNSATURATED 3-PYRIDYL-BENZOCYCLOALKYLMETHYL-AMINES FOR USE IN THE TREATMENT OF PAINS, DEPRESSIONS AND ANXIETY STATES | GRUENENTHAL GMBH (DE) | 2009-09-02 | — | — | EP | claimed |
| US-20070203192-A1 | Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety | GRUENENTHAL GMBH | 2007-08-30 | — | — | US | claimed |
| US-8278338-B2 | Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety | GRUENENTHAL GMBH (DE) | 2012-10-02 | — | — | US | disclosed |
| EP-2097416-A1 | AZAQUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF | Amgen, Inc (US) | 2009-09-09 | — | — | EP | disclosed |
| EP-1758860-B1 | SATURATED AND UNSATURATED 3-PYRIDYL-BENZOCYCLOALKYLMETHYL-AMINES FOR USE IN THE TREATMENT OF PAINS, DEPRESSIONS AND ANXIETY STATES | GRUENENTHAL GMBH (DE) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008076425-A1 | AZAQUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF | AMGEN INC. (US) | 2008-06-26 | — | — | WO | disclosed |
| US-20070203192-A1 | Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety | GRUENENTHAL GMBH | 2007-08-30 | — | — | US | 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-20070203192-A1 | Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety | OPRK1, OPRM1, OPRL1 | CYP2A6 296/4885CYP2C19 108/4885CYP2D6 177/4885 |
“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.