SCHEMBL7549863

SCHEMBL7549863

O=C(N[C@H]1N=C(CC2CCCCC2)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.49
CCKBR P32239 11/20 0.44
SCN9A Q15858 1/20 0.39
CCKAR P32238 1/20 0.39
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38

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
SCHEMBL7549865 1.00 SENP1 (0.49) SENP1CCKBRSCN9ACCKARBRD4
SCHEMBL7548097 0.83 SENP1 (0.51) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7548101 0.83 SENP1 (0.51) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL8533497 0.83 CCKBR (0.64) SENP1CCKBRCCKAR
SCHEMBL8554873 0.80 SENP1 (0.53) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7576978 0.80 CCKBR (0.42) CCKBRCCKAR
SCHEMBL7576970 0.80 CCKBR (0.42) CCKBRCCKAR
SCHEMBL7637811 0.79 CCKBR (0.54) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7546400 0.79 CCKBR (0.52) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7637803 0.79 CCKBR (0.54) SENP1CCKBRSCN9ABRD4BRD2

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 SENP1 3511/4885CCKBR 2/4885SCN9A 816/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 SENP1 3511/4885CCKBR 2/4885SCN9A 816/4885

“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.