SCHEMBL2169980

SCHEMBL2169980

CC(C)[Si](OCc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc2ccccc12)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 2/20 0.42
ACHE P22303 1/20 0.42
CYP11B2 P19099 1/20 0.42
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ATM Q13315 1/20 0.38
ACKR3 P25106 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
USP1 O94782 2/20 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
SCHEMBL2921998 0.88 TSHR (0.44) MMP2MMP13ADAM17ACHECYP11B2
SCHEMBL2152455 0.88 ABCB1 (0.39) MMP2MMP13ADAM17OPRD1OPRK1
SCHEMBL2152449 0.85 ACHE (0.46) MMP2MMP13ADAM17ACHECYP11B2
SCHEMBL2152225 0.78 CYP11B2 (0.45) MMP2MMP13ADAM17CYP11B2TSHR
SCHEMBL2152319 0.77 CYP11B2 (0.45) MMP2MMP13ACHECYP11B2TSHR
SCHEMBL2153160 0.76 BACE1 (0.44) MMP2MMP13ACHECYP11B2TSHR
SCHEMBL7203937 0.74 CYP11B2 (0.46) MMP2MMP13ADAM17CYP11B2TSHR
SCHEMBL2923191 0.72 TSHR (0.46) MMP2MMP13ADAM17ACHECYP11B2
SCHEMBL12983226 0.72 TSHR (0.46) MMP2MMP13ADAM17ACHECYP11B2
SCHEMBL240381 0.72 TSHR (0.57) TSHRALOX15TACR1OPRD1OPRK1

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 7 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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-2010519-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
WO-2007120655-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 (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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 MMP2 2646/4885MMP13 3394/4885ADAM17 2260/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 MMP2 2646/4885MMP13 3394/4885ADAM17 2260/4885

“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.