SCHEMBL4316873

SCHEMBL4316873

CN1C(=O)NC(=O)C12Cc1cc3ccc(C(=O)N4Cc5ccccc5C4)nc3cc1C2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.53
▸ CALCA P06881 2/20 0.51

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
SCHEMBL1395295 0.83 CALCRL (0.56) CALCRLCALCA
SCHEMBL2021754 0.83 CALCRL (0.53) CALCRLCALCA
SCHEMBL12050169 0.81 CALCRL (0.58) CALCRLCALCA
SCHEMBL3389384 0.80 CALCRL (0.54) CALCRLCALCA
SCHEMBL12050412 0.78 CALCRL (0.69) CALCRLCALCA
SCHEMBL12050615 0.77 CALCRL (0.49) CALCRLCALCA
SCHEMBL1395308 0.76 CALCRL (0.55) CALCRLCALCA
SCHEMBL1393800 0.76 CALCRL (0.55) CALCRLCALCA
SCHEMBL4513029 0.75 CALCRL (0.56) CALCRLCALCA
SCHEMBL1394285 0.74 CALCRL (0.62) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
US-8071771-B2 Bicyclic spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071771-B2 Bicyclic spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071771-B2 Bicyclic spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — 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
WO-2007061695-A2 BICYCLIC SPIROHYDANTOIN 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 (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-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 6/4885

“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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