SCHEMBL7552264

SCHEMBL7552264

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CCKBR P32239 7/20 0.41
▸ GFER P55789 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ CCKAR P32238 3/20 0.37
▸ BRPF1 P55201 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 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
SCHEMBL7552256 1.00 MEN1 (0.41) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7544295 0.86 CCKBR (0.43) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7544285 0.86 CCKBR (0.43) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7547986 0.84 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7547991 0.84 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7544795 0.82 MEN1 (0.38) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7601420 0.82 MEN1 (0.38) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7546466 0.80 CCKBR (0.52) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL7546470 0.80 CCKBR (0.52) MEN1ALDH1A1KMT2ACCKBRGFER
SCHEMBL18315504 0.78 NOTCH1 (0.48) MEN1ALDH1A1KMT2ACCKBRCCKAR

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 MEN1 2261/4885ALDH1A1 1169/4885KMT2A 1298/4885
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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