SCHEMBL7545488

SCHEMBL7545488

Cc1cccc(C(=O)CCCCl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.41
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MYC P01106 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM1 P11229 2/20 0.36
DRD2 P14416 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 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
Hydrochloric Acid SCHEMBL9864094 0.98 CTNNB1 (0.40) CD44CTNNB1WNT3ACYP2D6CYP19A1
SCHEMBL7547154 0.83 CD44 (0.42) CD44CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL11709541 0.83 CTNNB1 (0.57) CTNNB1WNT3AHPGDCHRM1DRD2
SCHEMBL9116089 0.81 F2R (0.42) CD44CTNNB1WNT3AALDH1A1HPGD
SCHEMBL5636754 0.81 CES2 (0.42) CTNNB1WNT3AKDM4EALDH1A1HPGD
SCHEMBL7547028 0.78 CD44 (0.43) CD44CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5415859 0.76 GAA (0.44) KDM4EALDH1A1HPGDHSD17B10HIF1A
Hydrochloric Acid SCHEMBL7799850 0.75 GAA (0.43) KDM4EALDH1A1HPGDHSD17B10HIF1A
SCHEMBL27608737 0.75 ERCC5 (0.46) CD44CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10969538 0.74 HTT (0.47) KDM4EALDH1A1HSD17B10TDP1

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 CD44 2344/4885CTNNB1 423/4885WNT3A 856/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CD44 2344/4885CTNNB1 423/4885WNT3A 856/4885

“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.