SCHEMBL7547756

SCHEMBL7547756

CC(=O)c1sccc1CN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(CC(C)C)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.56
CCKBR P32239 14/20 0.53
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL7547752 1.00 CCKAR (0.56) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL7544378 0.93 CCKAR (0.54) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL7544373 0.93 CCKAR (0.54) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL7546601 0.89 CCKAR (0.57) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL7546598 0.89 CCKAR (0.57) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL7545728 0.89 CCKBR (0.57) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL7545729 0.89 CCKBR (0.57) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL8534456 0.85 CCKBR (0.66) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL9055145 0.85 CCKBR (0.66) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL9054859 0.84 CCKBR (0.68) CCKARCCKBR

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
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKAR 1/4885CCKBR 2/4885CYP3A4 318/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKAR 1/4885CCKBR 2/4885CYP3A4 318/4885

“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.