Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 7/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4804899 | 0.90 | MAOA (0.46) | F11ROCK2SLC6A2TAAR1MAOA | |
| SCHEMBL4797888 | 0.89 | GPR142 (0.41) | F11ROCK2SLC6A2TAAR1MAOA | |
| SCHEMBL4806539 | 0.89 | GRIA2 (0.50) | F11SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL4804375 | 0.84 | ROCK2 (0.39) | F11ROCK2SLC6A2TAAR1MAOA | |
| SCHEMBL1196730 | 0.81 | PNMT (0.45) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL4799486 | 0.80 | CYP17A1 (0.49) | F11 | |
| SCHEMBL4796037 | 0.79 | ROCK2 (0.58) | ROCK2 | |
| SCHEMBL1196058 | 0.79 | F11 (0.62) | F11ROCK2KLKB1PRSS1PRSS2 | |
| SCHEMBL4798617 | 0.79 | F11 (0.57) | F11KLKB1PRSS1PRSS2PRSS3 | |
| SCHEMBL4809958 | 0.79 | CYP11B1 (0.47) | AAK1 |
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-1773775-B1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-08-17 | — | — | EP | disclosed |
| US-7429604-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2008-09-30 | — | — | US | disclosed |
| EP-1773775-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20060009455-A1 | especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-12 | — | — | US | disclosed |
| WO-2005123680-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | 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-20060009455-A1 | especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; | F12, F11, F2 | F11 2/4885ROCK2 1857/4885SLC6A2 4344/4885 |
“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.