SCHEMBL3181817

SCHEMBL3181817

CC(C)(C)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.CC(C)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.63
CCKAR P32238 11/20 0.63
BDKRB1 P46663 1/20 0.60
NOTCH1 P46531 1/20 0.59
RBPJ Q06330 1/20 0.59

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
SCHEMBL643277 0.93 CCKBR (0.68) CCKBRCCKARBDKRB1
SCHEMBL643033 0.93 CCKBR (0.71) CCKBRCCKAR
SCHEMBL16110814 0.81 CCKBR (0.64) CCKBRCCKAR
SCHEMBL643974 0.80 CHRM1 (0.65) CCKBRCCKARBDKRB1
SCHEMBL642974 0.80 CCKBR (0.72) CCKBRCCKAR
SCHEMBL12214184 0.80 CCKBR (0.72) CCKBRCCKAR
SCHEMBL29766969 0.80 CCKBR (0.72) CCKBRCCKAR
SCHEMBL18394863 0.80 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394473 0.80 CCKBR (0.76) CCKBRCCKAR
SCHEMBL2930364 0.80 CCKBR (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US claimed

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-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 CCKBR 197/4885CCKAR 137/4885BDKRB1 342/4885

“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.