SCHEMBL837323

SCHEMBL837323

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCA P06881 4/20 0.48
CALCRL Q16602 12/20 0.45
ADM2 Q7Z4H4 4/20 0.44
CALCB P10092 3/20 0.44
RAMP1 O60894 1/20 0.42

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
SCHEMBL978829 1.00 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1
SCHEMBL978066 1.00 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1
Trifluoroacetic Acid SCHEMBL836199 0.90 CALCRL (0.47) CALCACALCRLADM2CALCBRAMP1
SCHEMBL1819423 0.87 CALCA (0.52) CALCACALCRLADM2CALCBRAMP1
SCHEMBL24962033 0.85 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1
SCHEMBL22796652 0.85 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1
SCHEMBL22774650 0.85 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1
SCHEMBL29559125 0.85 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1
SCHEMBL2056346 0.85 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1
SCHEMBL29550400 0.85 CALCA (0.48) CALCACALCRLADM2CALCBRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438067-B1 SPIROLACTAMS AS CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
WO-2008130524-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
WO-2008130512-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
WO-2008130512-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 WO disclosed
WO-2008073251-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-19 WO disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO disclosed
WO-2007133491-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-22 WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US 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 (1 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-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB CALCA 16/4885CALCRL 2/4885ADM2 188/4885

“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.