SCHEMBL7547730

SCHEMBL7547730

CCC1=NC(N)C(=O)N(CC(=O)C2CCCCC2)c2c(C)cccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.42
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCKBR P32239 4/20 0.35
PABPC1 P11940 1/20 0.35

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
SCHEMBL7551377 1.00 CCKAR (0.42) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7547738 1.00 CCKAR (0.42) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7546563 0.89 CCKAR (0.40) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7546557 0.89 CCKAR (0.40) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7544604 0.89 CCKAR (0.43) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7546846 0.89 CCKAR (0.43) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7545489 0.89 CCKAR (0.43) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7544598 0.89 CCKAR (0.43) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7546834 0.89 CCKAR (0.43) CCKARMAPTALDH1A1HSD17B10HTT
SCHEMBL7545495 0.89 CCKAR (0.43) CCKARMAPTALDH1A1HSD17B10HTT

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 CCKAR 1/4885MAPT 4445/4885ALDH1A1 1169/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKAR 1/4885MAPT 4445/4885ALDH1A1 1169/4885

“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.