SCHEMBL7552202

SCHEMBL7552202

O=C(N[C@H]1N=C(CC2CCCCC2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.47
ALDH1A1 P00352 2/20 0.44
EPHX1 P07099 1/20 0.43
CCKAR P32238 4/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
NAAA Q02083 1/20 0.40
ASAH1 Q13510 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
SCHEMBL7552197 1.00 CCKBR (0.47) CCKBRALDH1A1EPHX1CCKARIDO1
SCHEMBL8824704 0.85 PSEN1 (0.53) CCKBRALDH1A1EPHX1CCKARIDO1
SCHEMBL8824697 0.85 PSEN1 (0.53) CCKBRALDH1A1EPHX1CCKARIDO1
SCHEMBL4416902 0.85 PSEN1 (0.53) CCKBRALDH1A1EPHX1CCKARIDO1
SCHEMBL8681100 0.85 PSEN1 (0.53) CCKBRALDH1A1EPHX1CCKARIDO1
SCHEMBL8681102 0.85 PSEN1 (0.53) CCKBRALDH1A1EPHX1CCKARIDO1
SCHEMBL8824701 0.85 PSEN1 (0.53) CCKBRALDH1A1EPHX1CCKARIDO1
SCHEMBL7552319 0.84 CCKBR (0.52) CCKBRCCKARIDO1TDO2
SCHEMBL7552311 0.84 CCKBR (0.52) CCKBRCCKARIDO1TDO2
SCHEMBL5800683 0.84 CCKBR (0.52) CCKBRCCKARIDO1TDO2NAAA

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 CCKBR 2/4885ALDH1A1 1169/4885EPHX1 2268/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885ALDH1A1 1169/4885EPHX1 2268/4885

“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.