SCHEMBL837503

SCHEMBL837503

O=C(O)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 5/20 0.49
CALCRL Q16602 14/20 0.48
RAMP1 O60894 3/20 0.48
CALCB P10092 4/20 0.47
CALCA P06881 2/20 0.45

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
SCHEMBL13272686 0.90 ADM2 (0.49) ADM2CALCRLRAMP1CALCB
SCHEMBL846259 0.85 CALCA (0.47) ADM2CALCRLRAMP1CALCBCALCA
SCHEMBL17881436 0.85 CALCA (0.47) ADM2CALCRLRAMP1CALCBCALCA
SCHEMBL846283 0.84 CALCRL (0.46) ADM2CALCRLRAMP1CALCBCALCA
SCHEMBL846711 0.84 CALCRL (0.47) ADM2CALCRLRAMP1CALCBCALCA
SCHEMBL836905 0.84 CALCRL (0.49) ADM2CALCRLRAMP1CALCBCALCA
SCHEMBL846709 0.83 CALCRL (0.49) ADM2CALCRLRAMP1CALCBCALCA
SCHEMBL846281 0.83 ADM2 (0.48) ADM2CALCRLRAMP1CALCB
SCHEMBL837518 0.83 CALCRL (0.45) ADM2CALCRLRAMP1CALCBCALCA
Hydrochloric Acid SCHEMBL1894269 0.83 CALCRL (0.49) ADM2CALCRLRAMP1CALCBCALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-2146572-B1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-2091533-B1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-28 EP disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
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-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
EP-2146572-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2010-01-27 EP 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
WO-2008130512-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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 (7 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 ADM2 145/4885CALCRL 4/4885RAMP1 40/4885
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB ADM2 188/4885CALCRL 2/4885RAMP1 70/4885
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR ADM2 174/4885CALCRL 1/4885RAMP1 54/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR ADM2 146/4885CALCRL 2/4885RAMP1 75/4885
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR ADM2 48/4885CALCRL 5/4885RAMP1 42/4885
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB1, CALCR ADM2 140/4885CALCRL 1/4885RAMP1 20/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB ADM2 188/4885CALCRL 2/4885RAMP1 70/4885

“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.