SCHEMBL7545459

SCHEMBL7545459

Cc1cccc2c1N(CC(=O)N1CCCCCCC1)C(=O)C(NC(=O)OCc1ccccc1)N=C2CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.44
CCKBR P32239 13/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SCN9A Q15858 1/20 0.40
BRD4 O60885 3/20 0.39
BRD2 P25440 3/20 0.39
BRD3 Q15059 3/20 0.39
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL7545466 1.00 SENP1 (0.44) SENP1CCKBRALDH1A1GAASCN9A
SCHEMBL7552246 0.90 CCKBR (0.50) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7552252 0.90 CCKBR (0.50) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7552336 0.89 SENP1 (0.44) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7552330 0.89 SENP1 (0.44) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7544205 0.89 SENP1 (0.46) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7544210 0.89 SENP1 (0.46) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7546397 0.89 SENP1 (0.49) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7546387 0.89 SENP1 (0.49) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7544250 0.86 SENP1 (0.47) SENP1CCKBRALDH1A1SCN9ABRD4

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 2/4885ALDH1A1 1169/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 SENP1 3511/4885CCKBR 2/4885ALDH1A1 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.