SCHEMBL12050294

SCHEMBL12050294

CN1C(=O)NC(=O)C12Cc1cc3nc(CCn4c(=O)[nH]c5ccccc54)[nH]c3cc1C2

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.60
▸ CALCA P06881 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
SCHEMBL12050418 0.82 CALCRL (0.57) CALCRLCALCA
SCHEMBL12060842 0.81 CALCRL (0.55) CALCRLCALCA
SCHEMBL12050398 0.80 CALCRL (0.65) CALCRLCALCA
SCHEMBL12061379 0.79 CALCRL (0.53) CALCRLCALCA
SCHEMBL12050171 0.79 CALCRL (0.53) CALCRLCALCA
SCHEMBL13009297 0.79 MAPT (0.54) CALCRLCALCA
SCHEMBL12050420 0.79 CALCRL (0.64) CALCRLCALCA
SCHEMBL4501816 0.78 CALCA (0.48) CALCRLCALCA
SCHEMBL12050423 0.78 CALCRL (0.64) CALCRLCALCA
SCHEMBL12050415 0.78 CALCRL (0.61) 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 7 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
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-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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