SCHEMBL2152248

SCHEMBL2152248

CCOC(=O)c1cn(-c2ccc3c(c2)OCCO3)c(-c2ccc(C)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.64
GABRB2 P47870 11/20 0.64
TGFBR1 P36897 1/20 0.62
CCKAR P32238 3/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PTGS2 P35354 1/20 0.52
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MLYCD O95822 1/20 0.48
ALPL P05186 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2152933 0.92 GABRA2 (0.72) GABRA2GABRB2TGFBR1CCKARNPC1
SCHEMBL2152224 0.86 CCKAR (0.64) GABRA2GABRB2TGFBR1CCKARNPC1
SCHEMBL5783286 0.78 GABRA2 (0.80) GABRA2GABRB2PTGS2MLYCD
SCHEMBL2152521 0.78 GABRA2 (0.75) GABRA2GABRB2CCKAR
SCHEMBL2152451 0.76 CCKAR (0.63) GABRA2GABRB2TGFBR1CCKARKDM4E
SCHEMBL12510381 0.76 CCKAR (0.52) CCKARNPC1RAB9AKDM4EALDH1A1
SCHEMBL5784917 0.75 GABRA2 (0.71) GABRA2GABRB2TGFBR1PTGS2MLYCD
SCHEMBL3125889 0.75 CCKAR (1.00) CCKAR
SCHEMBL5423251 0.74 GABRA2 (0.88) GABRA2GABRB2KDM4EPTGS2MLYCD
SCHEMBL2152523 0.73 CCKAR (0.74) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 US disclosed
EP-2010519-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-06 EP disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-7759352-B2 Substituted imidazole-4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-20 US disclosed
EP-2010179-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-07-07 EP disclosed
US-20090281117-A1 Substituted Imidazole-4-Carboxamides as Cholecystokinin -1 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 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 (3 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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 GABRA2 447/4885GABRB2 314/4885TGFBR1 1913/4885
US-20090281117-A1 Substituted Imidazole-4-Carboxamides as Cholecystokinin -1 Receptor Modulators CCKAR, CCKBR, GPR119 GABRA2 419/4885GABRB2 308/4885TGFBR1 1830/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 GABRA2 447/4885GABRB2 314/4885TGFBR1 1913/4885

“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.