SCHEMBL7548017

SCHEMBL7548017

Cc1cccc2c1N(CC(=O)N1CCCCCCC1)C(=O)C(N)N=C2C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
CCKBR P32239 7/20 0.41
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F10 P00742 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7548027 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL7547435 0.97 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL7547427 0.97 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL7549509 0.91 CCKBR (0.48) CCKBRHSD17B10MEN1KMT2A
SCHEMBL7601430 0.91 CCKBR (0.48) CCKBRHSD17B10MEN1KMT2A
SCHEMBL7544380 0.88 CCKAR (0.42) CCKBR
SCHEMBL7548490 0.88 CCKAR (0.40) ALDH1A1CCKBRHSD17B10MAPT
SCHEMBL7548497 0.88 CCKAR (0.40) ALDH1A1CCKBRHSD17B10MAPT
SCHEMBL7544386 0.88 CCKAR (0.42) CCKBR
SCHEMBL7548536 0.86 CCKAR (0.42) ALDH1A1CCKBRHSD17B10MEN1KMT2A

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 ALDH1A1 1169/4885KDM4E 1350/4885HPGD 1469/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 ALDH1A1 1169/4885KDM4E 1350/4885HPGD 1469/4885

“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.