SCHEMBL7550811

SCHEMBL7550811

CC1=N[C@H](NC(=O)OCc2ccccc2)C(=O)Nc2c(C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.45
BRD2 P25440 7/20 0.45
BRD3 Q15059 7/20 0.45
NOTCH1 P46531 1/20 0.45
NOTCH3 Q9UM47 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SENP1 Q9P0U3 1/20 0.43
CCKBR P32239 2/20 0.42
CASP3 P42574 1/20 0.42
NAAA Q02083 1/20 0.40

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
SCHEMBL7550804 1.00 BRD4 (0.45) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL15628163 0.89 NOTCH1 (0.57) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL7544346 0.89 BRD4 (0.43) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL7545546 0.89 BRD4 (0.43) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL7544339 0.89 BRD4 (0.43) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL7545537 0.89 BRD4 (0.43) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL7548754 0.88 NOTCH1 (0.44) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL7548748 0.88 NOTCH1 (0.44) BRD4BRD2BRD3NOTCH1NOTCH3
SCHEMBL7552317 0.88 BRD4 (0.42) BRD4BRD2BRD3SENP1CCKBR
SCHEMBL7552324 0.88 BRD4 (0.42) BRD4BRD2BRD3SENP1CCKBR

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 BRD4 179/4885BRD2 483/4885BRD3 420/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 BRD4 179/4885BRD2 483/4885BRD3 420/4885

“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.