SCHEMBL5656206

SCHEMBL5656206

CC(C)(C)OC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.74
CCKAR P32238 11/20 0.74

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
SCHEMBL8774740 1.00 CCKBR (0.74) CCKBRCCKAR
SCHEMBL644153 1.00 CCKBR (0.74) CCKBRCCKAR
SCHEMBL644305 0.89 CCKBR (0.69) CCKBRCCKAR
SCHEMBL11981874 0.88 CCKBR (0.62) CCKBRCCKAR
SCHEMBL8672699 0.88 CCKBR (0.62) CCKBRCCKAR
SCHEMBL8535202 0.87 CCKBR (0.67) CCKBRCCKAR
SCHEMBL8535205 0.87 CCKBR (0.67) CCKBRCCKAR
SCHEMBL642206 0.86 CCKBR (0.76) CCKBRCCKAR
SCHEMBL9526556 0.86 CCKAR (1.00) CCKBRCCKAR
SCHEMBL8746538 0.86 CCKAR (1.00) CCKBRCCKAR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641781-B1 Benzodiazepine CGRP receptor antagonists MERCK SHARP & DOHME (US) 2013-03-06 EP disclosed
US-7196079-B2 Benzodiazepine CGRP receptor antagonists MERCK & CO, INC. (US) 2007-03-27 US disclosed
US-20060148790-A1 Benzodiazepine cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-07-06 US 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-20060148790-A1 Benzodiazepine cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 CCKBR 2/4885CCKAR 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.