SCHEMBL877307

SCHEMBL877307

O=Cc1ccc2c(n1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCA P06881 5/20 0.45
CALCRL Q16602 15/20 0.43
RAMP1 O60894 8/20 0.43

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
SCHEMBL1393954 0.84 CALCA (0.61) CALCACALCRL
SCHEMBL1394576 0.84 CALCA (0.61) CALCACALCRL
SCHEMBL1394822 0.84 CALCA (0.61) CALCACALCRL
SCHEMBL16658950 0.83 CALCRL (0.48) CALCACALCRLRAMP1
SCHEMBL29549672 0.83 CALCRL (0.48) CALCACALCRLRAMP1
SCHEMBL10207148 0.82 CALCA (0.46) CALCACALCRLRAMP1
SCHEMBL837966 0.82 CALCA (0.46) CALCACALCRLRAMP1
SCHEMBL877054 0.81 CALCA (0.47) CALCACALCRLRAMP1
SCHEMBL24962035 0.80 CALCRL (0.44) CALCACALCRLRAMP1
SCHEMBL837386 0.80 CALCRL (0.45) CALCACALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
US-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 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 (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-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-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR CALCA 16/4885CALCRL 2/4885RAMP1 75/4885
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCA 15/4885CALCRL 3/4885RAMP1 51/4885

“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.