SCHEMBL7544783

SCHEMBL7544783

CC1=N[C@H](NC(=O)OCc2ccccc2)C(=O)N(C)c2c(C)cccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.51
SENP1 Q9P0U3 2/20 0.51
BRD4 O60885 9/20 0.48
BRD2 P25440 9/20 0.48
BRD3 Q15059 9/20 0.48
CCKBR P32239 5/20 0.45
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7544771 1.00 SCN9A (0.51) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7547410 0.88 SENP1 (0.54) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7547418 0.88 SENP1 (0.54) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7550781 0.87 SENP1 (0.53) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7550774 0.87 SENP1 (0.53) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256442 0.86 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256449 0.86 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256454 0.86 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7552258 0.85 SENP1 (0.51) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7573241 0.85 SENP1 (0.51) SCN9ASENP1BRD4BRD2BRD3

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 SCN9A 816/4885SENP1 3511/4885BRD4 179/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 SCN9A 816/4885SENP1 3511/4885BRD4 179/4885

“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.