SCHEMBL7544285

SCHEMBL7544285

CCCCC1=NC(N)C(=O)Nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 5/20 0.43
▸ CCKAR P32238 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GFER P55789 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FER P16591 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ NOS2 P35228 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ BRD4 O60885 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
SCHEMBL7544295 1.00 CCKBR (0.43) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL7552264 0.86 MEN1 (0.41) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL7552256 0.86 MEN1 (0.41) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL7544795 0.83 MEN1 (0.38) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL7601420 0.83 MEN1 (0.38) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL11882312 0.80 CCKBR (0.50) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL7547991 0.80 ALDH1A1 (0.39) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL7547986 0.80 ALDH1A1 (0.39) CCKBRCCKARALDH1A1MEN1KMT2A
SCHEMBL8592722 0.79 CCKBR (0.49) CCKBRCCKARALDH1A1RIPK1KDM4E
SCHEMBL7546466 0.75 CCKBR (0.52) CCKBRCCKARALDH1A1MEN1KMT2A

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 2/4885CCKAR 1/4885ALDH1A1 1169/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885CCKAR 1/4885ALDH1A1 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.

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