SCHEMBL3881069

SCHEMBL3881069

Cc1cc2c(c3cn[nH]c13)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(c3cc4ccccc4[nH]c3=O)CC1)C2

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.85
CYP3A4 P08684 1/20 0.56

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
SCHEMBL3881072 1.00 CALCRL (0.85) CALCRLCYP3A4
SCHEMBL3882704 0.94 CALCRL (0.87) CALCRLCYP3A4
SCHEMBL3882708 0.94 CALCRL (0.87) CALCRLCYP3A4
SCHEMBL3886953 0.92 CALCRL (0.85) CALCRLCYP3A4
SCHEMBL14386449 0.92 CALCRL (0.85) CALCRLCYP3A4
SCHEMBL3886949 0.92 CALCRL (0.85) CALCRLCYP3A4
SCHEMBL3889333 0.92 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3889324 0.92 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3889381 0.92 CALCRL (0.83) CALCRLCYP3A4
SCHEMBL3889382 0.92 CALCRL (0.83) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US claimed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US claimed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2008-11-20 US disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007130927-A2 CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 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 (5 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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL CALCRL 3/4885CYP3A4 3221/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL CALCRL 3/4885CYP3A4 3221/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL CALCRL 3/4885CYP3A4 3221/4885
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL CALCRL 3/4885CYP3A4 3221/4885
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists CALCR, BDKRB2, CALCRL CALCRL 3/4885CYP3A4 3221/4885

“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.