Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 4/20 | 0.35 |
| ▸ | BRAF | P15056 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6093917 | 0.96 | TACR1 (0.40) | TACR1CYP3A4PIK3CDPIK3CAPIK3CB | |
| SCHEMBL6093227 | 0.95 | TACR1 (0.40) | TACR1CYP3A4ROCK2ROCK1TNIK | |
| SCHEMBL6095621 | 0.91 | TACR1 (0.39) | TACR1CYP3A4 | |
| SCHEMBL6095651 | 0.88 | CTSS (0.38) | TACR1CYP3A4ROCK2ROCK1TNIK | |
| SCHEMBL6095509 | 0.84 | TACR1 (0.41) | TACR1CYP3A4 | |
| SCHEMBL6094847 | 0.84 | TACR1 (0.36) | TACR1CYP3A4CYP2D6RAF1BRAF | |
| SCHEMBL5533230 | 0.84 | TACR1 (0.44) | TACR1CYP3A4ROCK2ROCK1TNIK | |
| SCHEMBL6095231 | 0.83 | ADRB2 (0.42) | TACR1ROCK2ROCK1 | |
| SCHEMBL6093692 | 0.83 | TACR1 (0.39) | TACR1CYP3A4 | |
| SCHEMBL6093388 | 0.82 | TACR1 (0.35) | TACR1CYP3A4ROCK2ROCK1PIK3CD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030107-B2 | nitrogen compounds such as 5-[3,5-bis(trifluoromethyl)benzyl]-6-oxo-7-phenyl-9-[4-(pyrrolidine-1-yl)piperidine-1-yl]-2,3,4,5-tetrahydro-6H-pyrido[2,3-b][1,5]oxazocine, used as neurokinin inhibitors for prophylaxis of urogenital disorders; side effect reduction | KYORIN PHARMACEUTICAL.CO., LTD. (JP) | 2006-04-18 | — | — | US | disclosed |
| US-20050107375-A1 | Fused bicyclic pyridine derivatives as tachykinin receptor antagonists | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2005-05-19 | — | — | US | disclosed |
| EP-1457493-A1 | FUSED BICYCLIC PYRIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Kyorin Pharmaceutical Co., Ltd. (JP) | 2004-09-15 | — | — | 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-20050107375-A1 | Fused bicyclic pyridine derivatives as tachykinin receptor antagonists | BDKRB1, BDKRB2, TACR1 | TACR1 3/4885CYP3A4 3822/4885ROCK2 3047/4885 |
“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.