SCHEMBL14865855

SCHEMBL14865855

CC(C)(C)OC(=O)N[C@@H]1c2nccnc2[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.62
RAMP1 O60894 1/20 0.59
CALCA P06881 1/20 0.59

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
SCHEMBL13740098 0.89 CALCRL (0.72) CALCRLRAMP1CALCA
SCHEMBL13740094 0.89 CALCRL (0.72) CALCRLRAMP1CALCA
SCHEMBL13739797 0.85 CALCRL (0.70) CALCRLRAMP1CALCA
SCHEMBL1670796 0.85 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL30231314 0.85 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL1670764 0.85 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL30231300 0.85 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL30721808 0.83 CALCRL (0.72) CALCRLRAMP1CALCA
SCHEMBL12206966 0.83 CALCRL (0.75) CALCRLRAMP1CALCA
SCHEMBL13832480 0.82 CALCRL (0.54) CALCRLRAMP1CALCA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748429-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 US disclosed
US-8748429-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 US disclosed
US-20130096130-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096130-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 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-20130096130-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR CALCRL 1/4885RAMP1 130/4885CALCA 8/4885

“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.