SCHEMBL2913085

SCHEMBL2913085

O=C(O)c1cc(N2CCN(C(=O)c3cn(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)n3)[C@H](C(=O)O)C2)cc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 17/20 0.79
MT-CO1 P00395 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL13027055 0.92 CCKAR (0.67) CCKAR
SCHEMBL2913088 0.90 CCKAR (0.75) CCKAR
SCHEMBL502229 0.88 CCKAR (1.00) CCKARMT-CO1CNR2
SCHEMBL2152210 0.82 CCKAR (1.00) CCKARMT-CO1CNR2
SCHEMBL2152958 0.80 CCKAR (0.84) CCKAR
SCHEMBL12510286 0.79 CCKAR (0.83) CCKAR
SCHEMBL2152165 0.78 CCKAR (0.78) CCKAR
SCHEMBL3128347 0.76 CCKAR (0.85) CCKAR
SCHEMBL2152839 0.76 CCKAR (1.00) CCKARMT-CO1CNR2
SCHEMBL2152451 0.75 CCKAR (0.63) CCKAR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858629-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-12-28 US claimed
EP-2010178-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-01 EP claimed
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes MERCK SHARP & DOHME CORP. 2009-09-24 US claimed
EP-2010178-A4 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2009-04-29 EP claimed
EP-2010178-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP claimed
WO-2007120688-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO claimed
US-7858629-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-12-28 US disclosed
US-7858629-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-12-28 US disclosed
EP-2010178-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-01 EP disclosed
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes MERCK SHARP & DOHME CORP. 2009-09-24 US disclosed
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes MERCK SHARP & DOHME CORP. 2009-09-24 US 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 (1 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-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes CCKAR, CCKBR, GIPR CCKAR 1/4885MT-CO1 940/4885CNR2 74/4885

“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.