SCHEMBL3884673

SCHEMBL3884673

Cc1cc2c(c3cn[nH]c13)CN(C)C(=O)C(N)C2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 5/20 0.34
CALCRL Q16602 2/20 0.33

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
SCHEMBL2214009 0.72 CALCRL (0.43) CALCRL
SCHEMBL3896405 0.70 CALCRL (0.53) CALCRL
SCHEMBL3896402 0.70 CALCRL (0.53) CALCRL
SCHEMBL440056 0.68 CALCRL (0.53) CALCRL
SCHEMBL2215067 0.68 CALCRL (0.53) CALCRL
SCHEMBL2213540 0.68 CALCRL (0.52) CALCRL
SCHEMBL2211682 0.67 CALCRL (0.53) CALCRL
SCHEMBL4050485 0.67 CALCRL (0.44) CALCRL
SCHEMBL2211189 0.67 CALCRL (0.51) CALCRL
SCHEMBL2211971 0.67 CALCRL (0.51) 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 12 patents. 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
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO claimed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US claimed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2008-11-20 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
EP-1809633-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2007-07-25 EP disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
WO-2006052378-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO 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 (3 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 AADAT 3991/4885CALCRL 3/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL AADAT 3991/4885CALCRL 3/4885
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists CALCR, BDKRB2, CALCRL AADAT 3991/4885CALCRL 3/4885

“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.