SCHEMBL2212698

SCHEMBL2212698

C[C@H](c1ccccc1)N1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 10/20 0.50
PARP1 P09874 1/20 0.40

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
SCHEMBL2214482 1.00 CALCRL (0.50) CALCRLPARP1
SCHEMBL2211814 0.93 CALCRL (0.57) CALCRLPARP1
SCHEMBL13987073 0.88 CALCRL (0.46) CALCRLPARP1
SCHEMBL2209816 0.86 CALCRL (0.60) CALCRLPARP1
SCHEMBL13804327 0.85 CALCRL (0.52) CALCRLPARP1
SCHEMBL4046614 0.84 CALCRL (0.56) CALCRLPARP1
SCHEMBL4050969 0.84 CALCRL (0.56) CALCRLPARP1
SCHEMBL2214512 0.83 CALCRL (0.61) CALCRLPARP1
SCHEMBL2211079 0.83 CALCRL (0.59) CALCRLPARP1
SCHEMBL2210320 0.82 CALCRL (0.52) CALCRLPARP1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 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-7470679-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
WO-2007130860-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-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-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 (4 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 3/4885PARP1 876/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL CALCRL 3/4885PARP1 876/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL CALCRL 3/4885PARP1 876/4885
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL CALCRL 3/4885PARP1 876/4885

“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.