SCHEMBL7550846

SCHEMBL7550846

COc1ccccc1C(=O)CN1C(=O)C(N)N=C(c2ccccc2F)c2cccc(C)c21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.47
CCKAR P32238 2/20 0.41
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 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
SCHEMBL7550857 1.00 CCKBR (0.47) CCKBRCCKARRAB9AHTTSMN1; SMN2
SCHEMBL7546430 0.91 CCKBR (0.46) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL7546436 0.91 CCKBR (0.46) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL7548713 0.88 CCKBR (0.46) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL7548706 0.88 CCKBR (0.46) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL7546459 0.83 CCKBR (0.48) CCKBRCCKARHTTMAPT
SCHEMBL7546449 0.83 CCKBR (0.48) CCKBRCCKARHTTMAPT
Bromide SCHEMBL7546518 0.83 CCKBR (0.42) CCKBRCCKARRAB9ACYP3A4MAPT
Bromide SCHEMBL7546516 0.83 CCKBR (0.42) CCKBRCCKARRAB9ACYP3A4MAPT
SCHEMBL7548084 0.82 CCKBR (0.50) CCKBRCCKARCYP3A4MAPTTSHR

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 2/4885CCKAR 1/4885RAB9A 765/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885CCKAR 1/4885RAB9A 765/4885

“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.