SCHEMBL7549458

SCHEMBL7549458

Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(N)N=C2CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.48
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7549464 1.00 CCKBR (0.48) CCKBRALDH1A1MAPTKDM4EGAA
SCHEMBL7544697 0.90 CCKBR (0.50) CCKBRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL7544704 0.90 CCKBR (0.50) CCKBRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL7545613 0.88 CCKBR (0.50) CCKBRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL7545615 0.88 CCKBR (0.50) CCKBRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL7552333 0.87 CCKBR (0.48) CCKBRALDH1A1MAPTKDM4EGAA
SCHEMBL7552342 0.87 CCKBR (0.48) CCKBRALDH1A1MAPTKDM4EGAA
SCHEMBL7545574 0.86 CCKBR (0.52) CCKBRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL7545581 0.86 CCKBR (0.52) CCKBRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL7547309 0.84 CCKBR (0.50) CCKBRALDH1A1MAPTKDM4EHSD17B10

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 4 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
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 CCKBR 2/4885ALDH1A1 1169/4885MAPT 4445/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885ALDH1A1 1169/4885MAPT 4445/4885

“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.