SCHEMBL4512699

SCHEMBL4512699

Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2nccn2C)cc2cn[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 1.00

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4510817 0.91 CALCRL (1.00) CALCRL
SCHEMBL4500567 0.91 CALCRL (1.00) CALCRL
SCHEMBL4496492 0.90 CALCRL (1.00) CALCRL
SCHEMBL13756224 0.90 CALCRL (0.82) CALCRL
SCHEMBL4507692 0.89 CALCRL (1.00) CALCRL
SCHEMBL4511313 0.89 CALCRL (1.00) CALCRL
SCHEMBL4509355 0.89 CALCRL (1.00) CALCRL
SCHEMBL4519804 0.89 CALCRL (1.00) CALCRL
SCHEMBL4509368 0.89 CALCRL (1.00) CALCRL
SCHEMBL4507819 0.89 CALCRL (1.00) CALCRL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.

PatentTitleText reads most aboutPredicted 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 1/4885

“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.