SCHEMBL3764686

SCHEMBL3764686

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.80
CYP3A4 P08684 2/20 0.80

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
SCHEMBL21206874 0.92 CALCRL (0.76) CALCRLCYP3A4
SCHEMBL30231462 0.92 CALCRL (0.81) CALCRLCYP3A4
SCHEMBL3541678 0.92 CALCRL (0.81) CALCRLCYP3A4
SCHEMBL3541675 0.92 CALCRL (0.81) CALCRLCYP3A4
SCHEMBL18324492 0.90 CALCRL (0.79) CALCRLCYP3A4
SCHEMBL30231357 0.90 CALCRL (0.79) CALCRLCYP3A4
SCHEMBL3596473 0.90 CALCRL (0.79) CALCRLCYP3A4
SCHEMBL4813971 0.90 CALCRL (0.79) CALCRLCYP3A4
SCHEMBL3605480 0.90 CALCRL (0.76) CALCRLCYP3A4
SCHEMBL3597988 0.90 CALCRL (0.78) CALCRLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US 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-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES CALCRL, CALCR, CALCA CALCRL 1/4885CYP3A4 3214/4885

“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.