Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 20/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL3598277 | 0.90 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL13756214 | 0.89 | CALCRL (0.81) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL4494339 | 0.88 | CALCRL (0.80) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL4492689 | 0.87 | CALCRL (0.72) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL3599533 | 0.86 | CALCRL (1.00) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL30543746 | 0.86 | CALCRL (1.00) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL4519214 | 0.86 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL4501113 | 0.85 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL3597024 | 0.84 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL30231303 | 0.84 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6 |
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 6 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 | disclosed |
| US-7569578-B2 | Heterocyclic anti-migraine agents | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2009-08-04 | — | — | US | disclosed |
| 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 | CALCRL 1/4885CYP3A4 3266/4885CYP2D6 3751/4885 |
“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.