SCHEMBL2919971

SCHEMBL2919971

COC(=O)C1(c2cc(C(=O)OCc3ccccc3)c3ccccc3c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
TACR1 P25103 1/20 0.42
YAP1 P46937 1/20 0.41
BACE1 P56817 1/20 0.41
SLC2A1 P11166 1/20 0.41
HSD11B1 P28845 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
CYP11B2 P19099 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 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
SCHEMBL2919135 0.87 TSHR (0.48) TSHRALOX15ATMTACR1BACE1
SCHEMBL2923191 0.82 TSHR (0.46) TSHRALOX15ATMTACR1BACE1
SCHEMBL12983226 0.82 TSHR (0.46) TSHRALOX15ATMTACR1BACE1
SCHEMBL2923904 0.82 OPRM1 (0.46) MEN1KMT2A
SCHEMBL2916674 0.79 TSHR (0.45) TSHRALOX15ATMTACR1BACE1
SCHEMBL6161492 0.78 TSHR (0.56) TSHRALOX15ATMTACR1OPRD1
SCHEMBL2153160 0.78 BACE1 (0.44) TSHRALOX15ATMTACR1BACE1
SCHEMBL2921998 0.77 TSHR (0.44) TSHRALOX15ATMTACR1BACE1
SCHEMBL971790 0.77 TSHR (0.65) TSHRALOX15ATMTACR1HSD11B1
SCHEMBL12983493 0.76 OPRM1 (0.52) TSHRALOX15ATMTACR1OPRD1

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 6 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 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
EP-2010178-A4 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2009-04-29 EP disclosed
EP-2010178-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
WO-2007120688-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 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 (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 TSHR 161/4885ALOX15 2817/4885ATM 2972/4885

“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.