SCHEMBL7544649

SCHEMBL7544649

Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](N)N=C2c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.67
CCKAR P32238 4/20 0.39
GRIN2B Q13224 1/20 0.38
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 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
SCHEMBL7544644 1.00 CCKBR (0.67) CCKBRCCKARGRIN2BMEN1NPC1
Trifluoroacetic Acid SCHEMBL7551522 0.95 CCKBR (0.61) CCKBRCCKARGRIN2B
Trifluoroacetic Acid SCHEMBL7548514 0.95 CCKBR (0.61) CCKBRCCKARGRIN2B
SCHEMBL7544968 0.91 CCKBR (0.58) CCKBRCCKARMEN1NPC1RAB9A
SCHEMBL7544959 0.91 CCKBR (0.58) CCKBRCCKARMEN1NPC1RAB9A
SCHEMBL7543601 0.90 CCKBR (0.56) CCKBRCCKARMEN1NPC1RAB9A
SCHEMBL7543597 0.90 CCKBR (0.56) CCKBRCCKARMEN1NPC1RAB9A
SCHEMBL7546361 0.90 CCKBR (0.58) CCKBRCCKARGRIN2B
SCHEMBL7546355 0.90 CCKBR (0.58) CCKBRCCKARGRIN2B
SCHEMBL8774186 0.87 CCKBR (0.61) CCKBRCCKAR

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 1/4885GRIN2B 60/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885CCKAR 1/4885GRIN2B 60/4885

“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.