SCHEMBL7546575

SCHEMBL7546575

CC1=N[C@H](NC(=O)OCc2ccccc2)C(=O)Nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.53
CCKAR P32238 8/20 0.51
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
BRD4 O60885 2/20 0.47
BRD2 P25440 2/20 0.47
BRD3 Q15059 2/20 0.47

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
SCHEMBL9248094 1.00 CCKBR (0.53) CCKBRCCKARIDO1TDO2BRD4
SCHEMBL6005277 1.00 CCKBR (0.53) CCKBRCCKARIDO1TDO2BRD4
SCHEMBL9378848 0.88 CCKBR (0.56) CCKBRCCKARBRD4BRD2BRD3
SCHEMBL4156693 0.88 BRD4 (0.43) CCKBRCCKARIDO1TDO2BRD4
SCHEMBL13904861 0.88 BRD4 (0.43) CCKBRCCKARIDO1TDO2BRD4
SCHEMBL7552319 0.87 CCKBR (0.52) CCKBRCCKARIDO1TDO2
SCHEMBL7552311 0.87 CCKBR (0.52) CCKBRCCKARIDO1TDO2
SCHEMBL8711252 0.87 CCKBR (0.65) CCKBRCCKAR
SCHEMBL1574399 0.87 CCKBR (0.65) CCKBRCCKAR
SCHEMBL641969 0.87 CCKBR (0.65) 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 7 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
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO disclosed
US-5451582-A Cholecystokinins and gastrin receptor antagonists MERCK SHARP & DOHME LTD. (GB) 1995-09-19 US disclosed
WO-1993017011-A1 BENZODIAZEPINE DERIVATIVES, AS CCK AND GASTRIN ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-09-02 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 (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 CCKBR 2/4885CCKAR 1/4885IDO1 920/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885CCKAR 1/4885IDO1 920/4885

“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.