SCHEMBL3394606

SCHEMBL3394606

CN1C(=O)NC(=O)C12Cc1cc3cc(C=O)cnc3cc1C2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.53
▸ CALCA P06881 2/20 0.43

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
SCHEMBL3389654 1.00 CALCRL (0.53) CALCRLCALCA
SCHEMBL12050589 0.84 CALCRL (0.53) CALCRLCALCA
SCHEMBL2026813 0.81 CALCRL (0.48) CALCRLCALCA
SCHEMBL2025124 0.78 CALCRL (0.45) CALCRLCALCA
SCHEMBL1394349 0.77 CALCRL (0.53) CALCRLCALCA
SCHEMBL379814 0.77 CALCRL (0.53) CALCRLCALCA
SCHEMBL2025599 0.76 CALCRL (0.56) CALCRLCALCA
SCHEMBL12050167 0.74 CALCRL (0.55) CALCRLCALCA
SCHEMBL1393800 0.72 CALCRL (0.55) CALCRLCALCA
SCHEMBL1395308 0.72 CALCRL (0.55) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
EP-1951251-B1 SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-12-29 — — EP disclosed
EP-1951251-B1 SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-12-29 — — EP 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
WO-2007061676-A2 SPIROHYDANTOIN ARYL 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-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 23/4885

“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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