Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 12/20 | 0.33 |
| ▸ | KDM5A | P29375 | 12/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 10/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 5/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4504073 | 0.91 | CALCRL (0.34) | KDM4CKDM5ACALCRLKLKB1KDM5B | |
| SCHEMBL4497082 | 0.85 | CALCRL (0.32) | CALCRL | |
| SCHEMBL4517790 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL4510889 | 0.82 | DGAT1 (0.34) | CALCRL | |
| SCHEMBL2973490 | 0.81 | KLKB1 (0.33) | KLKB1 | |
| SCHEMBL2973484 | 0.81 | KLKB1 (0.33) | KLKB1 | |
| SCHEMBL4506774 | 0.80 | PDE10A (0.33) | — | |
| SCHEMBL4495716 | 0.80 | CALCRL (0.36) | CALCRLKLKB1 | |
| SCHEMBL4497086 | 0.79 | DGAT1 (0.32) | CALCRL | |
| SCHEMBL4503953 | 0.78 | — | — |
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 4 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 |
| 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 | KDM4C 3796/4885KDM5A 3511/4885CALCRL 1/4885 |
“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.