SCHEMBL1395295

SCHEMBL1395295

CN1C(=O)NC(=O)C12Cc1cc3ccc(C(=O)O)nc3cc1C2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 17/20 0.56
▸ CALCA P06881 2/20 0.52
▸ MAP2K2 P36507 1/20 0.38
▸ ADM2 Q7Z4H4 1/20 0.38

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
SCHEMBL2021754 0.90 CALCRL (0.53) CALCRLCALCA
SCHEMBL12050169 0.87 CALCRL (0.58) CALCRLCALCAMAP2K2ADM2
SCHEMBL3389384 0.85 CALCRL (0.54) CALCRLCALCAMAP2K2ADM2
SCHEMBL4316873 0.83 CALCRL (0.53) CALCRLCALCA
SCHEMBL4447892 0.82 CALCRL (0.53) CALCRLCALCAMAP2K2ADM2
SCHEMBL1395308 0.82 CALCRL (0.55) CALCRLCALCA
SCHEMBL1393800 0.82 CALCRL (0.55) CALCRLCALCA
SCHEMBL1394285 0.81 CALCRL (0.62) CALCRLCALCA
SCHEMBL2029250 0.80 CALCRL (0.51) CALCRLCALCAMAP2K2
SCHEMBL1394349 0.79 CALCRL (0.53) CALCRLCALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 — — US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 — — US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 — — US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 — — US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 — — US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 — — US disclosed
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
EP-1951051-B1 SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-03 — — EP disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 — — US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 — — US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 — — US disclosed
EP-1951228-A2 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-06 — — EP disclosed
WO-2007061695-A2 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061695-A2 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061694-A2 SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — WO 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885CALCA 12/4885MAP2K2 4628/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 13/4885MAP2K2 4603/4885
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 23/4885MAP2K2 4767/4885
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 6/4885MAP2K2 4726/4885

“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.

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