SCHEMBL4629280

SCHEMBL4629280

CN1C(=O)NC(=O)C12Cc1cc(Cl)c(NC(=O)Cn3c(=O)n(-c4ccccn4)c4ccccc43)cc1C2

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.83

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
SCHEMBL4307354 0.91 CALCRL (0.83) CALCRL
SCHEMBL4629929 0.88 CALCRL (0.83) CALCRL
SCHEMBL14518330 0.87 CALCRL (1.00) CALCRL
SCHEMBL14518354 0.81 CALCRL (0.87) CALCRL
SCHEMBL14518334 0.79 CALCRL (1.00) CALCRL
SCHEMBL14518352 0.78 CALCRL (0.82) CALCRL
SCHEMBL14518370 0.77 CALCRL (0.67) CALCRL
SCHEMBL4629911 0.77 CALCRL (0.78) CALCRL
SCHEMBL4630136 0.76 CALCRL (0.79) CALCRL
SCHEMBL14518349 0.75 CALCRL (0.78) CALCRL

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
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 — — EP disclosed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 — — EP disclosed
EP-1608627-A4 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-01 — — EP disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 — — US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 — — US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 — — US disclosed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 — — US disclosed
EP-1608627-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-28 — — EP disclosed
WO-2004082605-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 — — 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-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR CALCRL 2/4885

“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.

Send feedback