Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.35 |
| ▸ | HTR3B | O95264 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL939716 | 0.82 | ALDH1A1 (0.70) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| SCHEMBL31558499 | 0.81 | CYP1A2 (0.68) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| SCHEMBL19673985 | 0.81 | CYP1A2 (0.68) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| SCHEMBL1713569 | 0.79 | ALDH1A1 (0.66) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| Mk-212 SCHEMBL255453 | 0.78 | HTR2A (1.00) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| SCHEMBL3089415 | 0.78 | KMT2A (0.64) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| SCHEMBL3056725 | 0.78 | KDM4E (0.64) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| Mk-212 SCHEMBL29389957 | 0.78 | HTR2A (1.00) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11557145 | 0.76 | KDM4E (0.62) | KMT2AALDH1A1KDM4EMEN1CYP1A2 | |
| Mk-212 SCHEMBL3060615 | 0.76 | HTR2A (0.96) | KMT2AALDH1A1KDM4EMEN1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1871762-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2008-01-02 | — | — | EP | disclosed |
| US-20070078135-A1 | Substituted heteroaryl CB1 antagonists | NEUROGEN CORPORATION (US) | 2007-04-05 | — | — | US | disclosed |
| US-20070078135-A1 | Substituted heteroaryl CB1 antagonists | NEUROGEN CORPORATION (US) | 2007-04-05 | — | — | US | disclosed |
| US-20070078135-A1 | Substituted heteroaryl CB1 antagonists | NEUROGEN CORPORATION (US) | 2007-04-05 | — | — | US | disclosed |
| WO-2006113704-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-10-26 | — | — | 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-20070078135-A1 | Substituted heteroaryl CB1 antagonists | CNR1, CNR2, OPRL1 | KMT2A 1771/4885ALDH1A1 1492/4885KDM4E 1408/4885 |
“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.