SCHEMBL7546470

SCHEMBL7546470

CC1=N[C@H](N)C(=O)Nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.52
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRPF1 P55201 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FER P16591 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CCKAR P32238 2/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ CSNK1G1 Q9HCP0 1/20 0.37

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
SCHEMBL7546466 1.00 CCKBR (0.52) CCKBRMEN1ALDH1A1KMT2ABRPF1
SCHEMBL18315504 0.81 NOTCH1 (0.48) CCKBRMEN1ALDH1A1KMT2AMAOA
SCHEMBL15629495 0.81 NOTCH1 (0.48) CCKBRMEN1ALDH1A1KMT2AMAOA
SCHEMBL14169793 0.81 CCKBR (0.50) CCKBRMEN1ALDH1A1KMT2ABRPF1
SCHEMBL7546890 0.80 CHRM1 (0.40) CCKBRMEN1ALDH1A1KMT2ABRPF1
SCHEMBL7546878 0.80 CHRM1 (0.40) CCKBRMEN1ALDH1A1KMT2ABRPF1
SCHEMBL7552256 0.80 MEN1 (0.41) CCKBRMEN1ALDH1A1KMT2ABRPF1
SCHEMBL7552264 0.80 MEN1 (0.41) CCKBRMEN1ALDH1A1KMT2ABRPF1
SCHEMBL18315499 0.79 MEN1 (0.50) CCKBRMEN1ALDH1A1KMT2ACCKAR
SCHEMBL15629440 0.79 MEN1 (0.50) CCKBRMEN1ALDH1A1KMT2ACCKAR

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 2/4885MEN1 2261/4885ALDH1A1 1169/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885MEN1 2261/4885ALDH1A1 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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