SCHEMBL4942235

SCHEMBL4942235

CC(C)(C)OC(=O)CC(=O)c1ccc(C2CCC3(CC2)OCCO3)nc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
TRPV3 Q8NET8 1/20 0.37
PDE10A Q9Y233 7/20 0.36
GABRA1 P14867 2/20 0.36
MAPK1 P28482 2/20 0.34
HPGDS O60760 4/20 0.34
GRIN2B Q13224 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL4470346 0.97 GPR119 (0.37) GPR119TRPV3PDE10AGABRA1MAPK1
SCHEMBL4482079 0.80 MAPK1 (0.44) GPR119TRPV3PDE10AMAPK1
SCHEMBL629954 0.72 TRPV3 (0.42) TRPV3PDE10AMAPK1IDO1
SCHEMBL5562740 0.72 USP30 (0.39) GABRA1MAPK1IDO1
SCHEMBL17316549 0.70 CACNA1G (0.40) GPR119IDO1
SCHEMBL3540420 0.69 IDO1 (0.40) TRPV3PDE10AMAPK1IDO1
SCHEMBL29209494 0.69 GAA (0.51)
SCHEMBL16660961 0.69 TRPV3 (0.40) TRPV3PDE10AMAPK1
SCHEMBL9269519 0.69 ALDH1A1 (0.44) GPR119TRPV3MAPK1
SCHEMBL9521091 0.69 GABRA5 (0.36) GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586594-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-11-19 US disclosed
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP disclosed
US-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US disclosed
US-8202878-B2 Type 2 diabetes, obesity, elevated plasma triglycerides, metabolic syndrome, non-alcoholic steatohepatitis, and non-alcoholic fatty liver disease;Trans [4-(4-{3-[2-(1-adamantyl)-2-hydroxyethoxy]-1H-pyrazol-5-yl}phenyl)cyclohexyl]acetic acid ABBOTT LABORATORIES (US) 2012-06-19 US disclosed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 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 (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-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT GPR119 168/4885TRPV3 3104/4885PDE10A 1074/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT GPR119 162/4885TRPV3 3125/4885PDE10A 1099/4885

“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.