SCHEMBL7601420

SCHEMBL7601420

CC(C)CCC1=N[C@H](N)C(=O)Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCKBR P32239 6/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ GFER P55789 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FER P16591 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ NOTCH1 P46531 2/20 0.35
▸ NOTCH3 Q9UM47 2/20 0.35
▸ CCKAR P32238 3/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL7544795 1.00 MEN1 (0.38) MEN1ALDH1A1KMT2ACCKBRDHODH
SCHEMBL7547991 0.86 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7547986 0.86 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7544285 0.83 CCKBR (0.43) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7544295 0.83 CCKBR (0.43) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7552256 0.82 MEN1 (0.41) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7552264 0.82 MEN1 (0.41) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7546890 0.76 CHRM1 (0.40) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7546878 0.76 CHRM1 (0.40) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7546470 0.74 CCKBR (0.52) MEN1ALDH1A1KMT2ACCKBRGFER

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 4 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-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 (1 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-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 MEN1 2261/4885ALDH1A1 1169/4885KMT2A 1298/4885

“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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