SCHEMBL642206

SCHEMBL642206

CC(C)(C)OC(=O)NC(C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.76
CCKAR P32238 10/20 0.76
SCN9A Q15858 3/20 0.68
NOTCH1 P46531 1/20 0.54
RBPJ Q06330 1/20 0.54

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
SCHEMBL8746534 0.86 CCKAR (1.00) CCKBRCCKARSCN9ANOTCH1RBPJ
SCHEMBL9526556 0.86 CCKAR (1.00) CCKBRCCKARSCN9ANOTCH1RBPJ
SCHEMBL8746538 0.86 CCKAR (1.00) CCKBRCCKARSCN9ANOTCH1RBPJ
SCHEMBL9526550 0.86 CCKAR (1.00) CCKBRCCKARSCN9ANOTCH1RBPJ
SCHEMBL5656206 0.86 CCKBR (0.74) CCKBRCCKAR
SCHEMBL8774740 0.86 CCKBR (0.74) CCKBRCCKAR
SCHEMBL644153 0.86 CCKBR (0.74) CCKBRCCKAR
SCHEMBL9865746 0.86 CCKBR (0.69) CCKBRCCKARSCN9ANOTCH1RBPJ
SCHEMBL10409010 0.83 CCKBR (0.65) CCKBRCCKARNOTCH1RBPJ
SCHEMBL2539002 0.82 CCKBR (0.90) CCKBRCCKARSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-7582624-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2009-09-01 US disclosed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 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 (2 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-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 CCKBR 195/4885CCKAR 137/4885SCN9A 600/4885
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 CCKBR 197/4885CCKAR 137/4885SCN9A 494/4885

“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.