SCHEMBL4933274

SCHEMBL4933274

O=C(O)CC1CCC(c2ccc(-c3cc(OCc4ccccc4OC(F)(F)F)[nH]n3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
DGAT1 O75907 7/20 0.39
SCN9A Q15858 1/20 0.37
CYP3A4 P08684 2/20 0.36
TACR1 P25103 2/20 0.36
KIT P10721 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NR1H4 Q96RI1 3/20 0.35
KCNH2 Q12809 4/20 0.35
ADORA2A P29274 3/20 0.35
SOAT1 P35610 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL4472538 0.86 GLP1R (0.39) GLP1RPTGDR2FFAR4DGAT1SCN9A
SCHEMBL4491957 0.85 ALOX5AP (0.38) GLP1RPTGDR2FFAR4DGAT1SCN9A
SCHEMBL4934121 0.82 ALOX5AP (0.36) GLP1RPTGDR2FFAR4DGAT1SCN9A
SCHEMBL4474358 0.80 ESR2 (0.39) GLP1RPTGDR2FFAR4DGAT1SCN9A
SCHEMBL4939698 0.77 DGAT1 (0.43) GLP1RPTGDR2DGAT1SOAT1
SCHEMBL4939640 0.74 DGAT1 (0.40) PTGDR2DGAT1NR1H4SOAT1HSD17B13
SCHEMBL16648943 0.68 DGAT1 (0.48) DGAT1CYP3A4TACR1KCNH2ADORA2A
SCHEMBL4934035 0.66 DGAT1 (0.39) PTGDR2DGAT1SOAT1
SCHEMBL14813133 0.64 DGAT1 (0.54) DGAT1SOAT1
SCHEMBL4487423 0.64 DGAT1 (0.54) DGAT1SOAT1

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
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP claimed
US-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US claimed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US claimed
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 GLP1R 1035/4885PTGDR2 1636/4885FFAR4 791/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT GLP1R 983/4885PTGDR2 1621/4885FFAR4 757/4885

“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.