SCHEMBL7543309

SCHEMBL7543309

CCCCC1=NC(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.47
SCN9A Q15858 1/20 0.39
ACE P12821 1/20 0.38
BDKRB1 P46663 3/20 0.38

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
SCHEMBL7543311 1.00 CCKBR (0.47) CCKBRSCN9AACEBDKRB1
SCHEMBL7548766 0.88 CCKBR (0.48) CCKBRSCN9AACE
SCHEMBL7548767 0.88 CCKBR (0.48) CCKBRSCN9AACE
SCHEMBL7547084 0.81 CCKBR (0.44) CCKBRACE
SCHEMBL7547079 0.81 CCKBR (0.44) CCKBRACE
SCHEMBL7551392 0.81 CCKBR (0.73) CCKBR
SCHEMBL7551387 0.81 CCKBR (0.73) CCKBR
SCHEMBL1506595 0.78 CCKBR (0.39) CCKBRSCN9ABDKRB1
SCHEMBL7544443 0.75 CCKBR (0.70) CCKBRSCN9A
SCHEMBL7544439 0.75 CCKBR (0.70) CCKBRSCN9A

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 2/4885SCN9A 816/4885ACE 2899/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKBR 2/4885SCN9A 816/4885ACE 2899/4885

“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.