SCHEMBL7544717

SCHEMBL7544717

CC(C)(C)OC(=O)N[C@H]1N=C(c2ccccc2F)c2cccc(Cl)c2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.55
NOTCH1 P46531 5/20 0.51
NOTCH3 Q9UM47 2/20 0.51
CCKAR P32238 7/20 0.50
RBPJ Q06330 3/20 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
SCHEMBL7544708 1.00 CCKBR (0.55) CCKBRNOTCH1NOTCH3CCKARRBPJ
SCHEMBL7544423 0.89 CCKBR (0.51) CCKBRNOTCH1NOTCH3CCKAR
SCHEMBL7544428 0.89 CCKBR (0.51) CCKBRNOTCH1NOTCH3CCKAR
SCHEMBL7547722 0.88 CCKBR (0.50) CCKBRNOTCH1NOTCH3CCKAR
SCHEMBL7547713 0.88 CCKBR (0.50) CCKBRNOTCH1NOTCH3CCKAR
SCHEMBL7551335 0.87 NOTCH1 (0.51) CCKBRNOTCH1NOTCH3CCKAR
SCHEMBL7551338 0.87 NOTCH1 (0.51) CCKBRNOTCH1NOTCH3CCKAR
SCHEMBL8535202 0.85 CCKBR (0.67) CCKBRCCKAR
SCHEMBL8535205 0.85 CCKBR (0.67) CCKBRCCKAR
SCHEMBL7544913 0.82 NOTCH1 (0.42) CCKBRNOTCH1NOTCH3CCKARRBPJ

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 5 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

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 2/4885NOTCH1 3631/4885NOTCH3 4224/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885NOTCH1 3631/4885NOTCH3 4224/4885

“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.