SCHEMBL7548544

SCHEMBL7548544

Cc1cccc2c1N(CC(=O)C1CCCCC1)C(=O)[C@@H](N)N=C2C1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 7/20 0.42
CCKBR P32239 8/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7548536 1.00 CCKAR (0.42) CCKARCCKBRMAPTMEN1TSHR
SCHEMBL7544380 0.98 CCKAR (0.42) CCKARCCKBR
SCHEMBL7544386 0.98 CCKAR (0.42) CCKARCCKBR
SCHEMBL7548497 0.96 CCKAR (0.40) CCKARCCKBRMAPTALDH1A1HTT
SCHEMBL7548490 0.96 CCKAR (0.40) CCKARCCKBRMAPTALDH1A1HTT
SCHEMBL7544604 0.89 CCKAR (0.43) CCKARCCKBRMAPTMEN1TSHR
SCHEMBL7546834 0.89 CCKAR (0.43) CCKARCCKBRMAPTMEN1TSHR
SCHEMBL7545489 0.89 CCKAR (0.43) CCKARCCKBRMAPTMEN1TSHR
SCHEMBL7544598 0.89 CCKAR (0.43) CCKARCCKBRMAPTMEN1TSHR
SCHEMBL7546846 0.89 CCKAR (0.43) CCKARCCKBRMAPTMEN1TSHR

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