SCHEMBL877054

SCHEMBL877054

O=Cc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCA P06881 4/20 0.47
CALCRL Q16602 15/20 0.44
RAMP1 O60894 5/20 0.43
ADM2 Q7Z4H4 1/20 0.41

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
SCHEMBL1817931 0.84 CALCA (0.51) CALCACALCRL
SCHEMBL12241812 0.82 CALCRL (0.52) CALCACALCRLRAMP1ADM2
SCHEMBL29550400 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2
SCHEMBL22796652 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2
SCHEMBL837323 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2
SCHEMBL24962033 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2
SCHEMBL2056346 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2
SCHEMBL22774650 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2
SCHEMBL29559125 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2
SCHEMBL978829 0.82 CALCA (0.48) CALCACALCRLRAMP1ADM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
US-20110306626-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS Merck, Sharp & Dohme Corp. 2011-12-15 US disclosed
US-7951795-B2 Constrained spirocyclic compounds as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-31 US disclosed
US-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-03 US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-18 US disclosed
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 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 (8 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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR CALCA 14/4885CALCRL 2/4885RAMP1 169/4885
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCA 15/4885CALCRL 4/4885RAMP1 40/4885
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB CALCA 16/4885CALCRL 2/4885RAMP1 70/4885
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 CALCA 9/4885CALCRL 4/4885RAMP1 60/4885
US-20110306626-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB2, CALCR CALCA 15/4885CALCRL 1/4885RAMP1 103/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR CALCA 16/4885CALCRL 2/4885RAMP1 75/4885
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCA 9/4885CALCRL 5/4885RAMP1 42/4885
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB1, CALCR CALCA 5/4885CALCRL 1/4885RAMP1 20/4885

“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.