SCHEMBL2921998

SCHEMBL2921998

COC(=O)C1(c2cc(CO[Si](C(C)C)(C(C)C)C(C)C)c3ccccc3c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
ATM Q13315 1/20 0.42
ACHE P22303 1/20 0.42
CYP11B2 P19099 1/20 0.41
ADAM17 P78536 2/20 0.40
ACKR3 P25106 1/20 0.38
TACR1 P25103 1/20 0.38
HSD11B1 P28845 1/20 0.38
PKM P14618 1/20 0.37
SLC2A1 P11166 1/20 0.37
BACE1 P56817 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
SCHEMBL2169980 0.88 MMP2 (0.45) TSHRALOX15MMP2MMP13ATM
SCHEMBL2923191 0.86 TSHR (0.46) TSHRALOX15MMP2MMP13ATM
SCHEMBL12983226 0.86 TSHR (0.46) TSHRALOX15MMP2MMP13ATM
SCHEMBL2919135 0.79 TSHR (0.48) TSHRALOX15ATMACHECYP11B2
SCHEMBL2916674 0.78 TSHR (0.45) TSHRALOX15ATMACHECYP11B2
SCHEMBL2919971 0.77 TSHR (0.42) TSHRALOX15ATMACHECYP11B2
SCHEMBL971790 0.74 TSHR (0.65) TSHRALOX15ATMTACR1HSD11B1
SCHEMBL2152449 0.73 ACHE (0.46) TSHRALOX15MMP2MMP13ATM
SCHEMBL31382726 0.70 TSHR (0.51) TSHRALOX15ATMHSD11B1PKM
SCHEMBL31382005 0.69 GPR119 (0.53) TSHRALOX15ATMTACR1HSD11B1

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 2817/4885MMP2 2486/4885

“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.