SCHEMBL7545593

SCHEMBL7545593

Cc1cccc(NC(=O)NC2N=C(C3CCCCC3)c3cccc(C)c3N(C)C2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.79
KCNH2 Q12809 1/20 0.57

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
SCHEMBL7545600 1.00 CCKBR (0.79) CCKBRKCNH2
SCHEMBL9301528 0.88 CCKBR (1.00) CCKBR
SCHEMBL14425311 0.88 CCKBR (1.00) CCKBR
SCHEMBL7550851 0.87 CCKAR (0.68) CCKBR
SCHEMBL7550844 0.87 CCKAR (0.68) CCKBR
SCHEMBL9302828 0.85 CCKBR (1.00) CCKBRKCNH2
SCHEMBL7546875 0.85 CCKBR (0.63) CCKBR
SCHEMBL7546881 0.85 CCKBR (0.63) CCKBR
SCHEMBL7553620 0.85 CCKBR (0.58) CCKBR
SCHEMBL7553612 0.85 CCKBR (0.58) CCKBR

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 2/4885KCNH2 253/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885KCNH2 253/4885

“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.