SCHEMBL4629482

SCHEMBL4629482

CNc1ccc2c(c1)CC1(C2)NC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 8/20 0.51
CRBN Q96SW2 4/20 0.40
DDB1 Q16531 2/20 0.40
RAMP1 O60894 2/20 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
SCHEMBL4960953 0.90 CALCRL (0.50) CALCRLCRBNDDB1RAMP1
SCHEMBL14560037 0.83 CALCRL (0.58) CALCRLCRBNDDB1RAMP1
SCHEMBL12461611 0.82 CALCRL (0.47) CALCRLCRBNDDB1RAMP1
SCHEMBL13055192 0.81 CALCRL (0.44) CALCRL
SCHEMBL12655225 0.80 CALCRL (0.63) CALCRLCRBNDDB1RAMP1
SCHEMBL12622674 0.80 CALCRL (0.55) CALCRLCRBNDDB1RAMP1
SCHEMBL14518237 0.77 CALCRL (0.60) CALCRLCRBNDDB1RAMP1
SCHEMBL13192017 0.76 TDP2 (0.42) CALCRLCRBN
SCHEMBL380001 0.76 CALCRL (0.41) CALCRLCRBN
SCHEMBL1727271 0.76 TDP2 (0.42) 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 6 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-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-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 2/4885CRBN 3137/4885DDB1 4378/4885

“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.