SCHEMBL7546155

SCHEMBL7546155

CC(C)c1cccc2c1NC(=O)C(N)N=C2c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 3/20 0.43
NOTCH3 Q9UM47 3/20 0.43
CCKBR P32239 6/20 0.38
CCKAR P32238 3/20 0.37
TRPV1 Q8NER1 1/20 0.37
CHRM1 P11229 2/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL7546162 1.00 NOTCH1 (0.43) NOTCH1NOTCH3CCKBRCCKARTRPV1
SCHEMBL7546453 0.88 CCKBR (0.39) NOTCH1NOTCH3CCKBRCCKARTRPV1
SCHEMBL7543599 0.87 NOTCH1 (0.35) NOTCH1NOTCH3CCKBRCCKARTRPV1
SCHEMBL15631540 0.85 NOTCH1 (0.53) NOTCH1NOTCH3CCKBRCHRM1
SCHEMBL15608165 0.85 NOTCH1 (0.53) NOTCH1NOTCH3CCKBRCHRM1
SCHEMBL7544940 0.84 CCKBR (0.41) NOTCH1NOTCH3CCKBRCCKAR
SCHEMBL7544945 0.84 CCKBR (0.41) NOTCH1NOTCH3CCKBRCCKAR
SCHEMBL7545651 0.83 CCKBR (0.37) NOTCH1NOTCH3CCKBRCCKAR
SCHEMBL7543703 0.82 CCKBR (0.43) CCKBRCCKAR
SCHEMBL7543698 0.82 CCKBR (0.43) 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 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 NOTCH1 3631/4885NOTCH3 4224/4885CCKBR 2/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 NOTCH1 3631/4885NOTCH3 4224/4885CCKBR 2/4885

“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.