Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4505335 | 0.82 | ALDH1A1 (0.40) | — | |
| SCHEMBL22363344 | 0.69 | GHSR (0.38) | CYP1A2GHSR | |
| SCHEMBL24095819 | 0.68 | LTA4H (0.41) | CYP1A2GHSR | |
| SCHEMBL18774990 | 0.68 | GHSR (0.40) | CYP1A2GHSR | |
| SCHEMBL4497026 | 0.67 | ADORA2A (0.32) | — | |
| SCHEMBL14269909 | 0.61 | CNR2 (0.42) | CYP1A2 | |
| SCHEMBL3698838 | 0.59 | CYP1A2 (0.42) | CYP1A2 | |
| SCHEMBL9872079 | 0.59 | RAB9A (0.44) | — | |
| SCHEMBL4499342 | 0.58 | — | — | |
| SCHEMBL3601654 | 0.58 | ADORA2A (0.40) | CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7569578-B2 | Heterocyclic anti-migraine agents | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2009-08-04 | — | — | US | claimed |
| EP-1689738-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | Bristol-Myers Squibb Company (US) | 2006-08-16 | — | — | EP | claimed |
| US-20050153959-A1 | 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache | BRISTOL-MYERS SQUIBB COMPANY | 2005-07-14 | — | — | US | claimed |
| WO-2005056550-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-23 | — | — | WO | claimed |
| US-7569578-B2 | Heterocyclic anti-migraine agents | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2009-08-04 | — | — | US | disclosed |
| EP-1689738-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | Bristol-Myers Squibb Company (US) | 2006-08-16 | — | — | EP | disclosed |
| US-20050153959-A1 | 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache | BRISTOL-MYERS SQUIBB COMPANY | 2005-07-14 | — | — | US | disclosed |
| WO-2005056550-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-23 | — | — | 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-20050153959-A1 | 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache | CALCRL, CALCA, BDKRB2 | CYP1A2 2467/4885GHSR 304/4885MAPK1 953/4885 |
“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.