SCHEMBL4934121

SCHEMBL4934121

FC(F)(F)Oc1ccccc1COc1cc(-c2ccc(C3CCC4(CC3)OCCO4)nc2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
GLP1R P43220 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MAPK1 P28482 2/20 0.34
DGAT1 O75907 2/20 0.34
SCN9A Q15858 1/20 0.33
NOTUM Q6P988 1/20 0.32
SGMS1 Q86VZ5 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
TRPA1 O75762 1/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 1/20 0.31

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) ALOX5APFEN1GLP1ROPRM1OPRD1
SCHEMBL4491957 0.85 ALOX5AP (0.38) ALOX5APFEN1GLP1ROPRM1OPRD1
SCHEMBL4933274 0.82 GLP1R (0.40) ALOX5APFEN1GLP1RDGAT1SCN9A
SCHEMBL4474358 0.77 ESR2 (0.39) ALOX5APFEN1GLP1RMAPK1DGAT1
SCHEMBL4937178 0.72 NOTUM (0.43) MAPK1NOTUM
Hydrazine SCHEMBL4472691 0.69 NOTUM (0.41) MAPK1NOTUM
SCHEMBL25190562 0.64 TRPV3 (0.42) OPRM1MAPK1NOTUMTRPA1
SCHEMBL25278112 0.63 TRPV3 (0.38) SCN9A
SCHEMBL628671 0.63 IDO1 (0.40) MAPK1DGAT1
SCHEMBL16660961 0.62 TRPV3 (0.40) OPRM1MAPK1NOTUM

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 ALOX5AP 806/4885FEN1 2014/4885GLP1R 1035/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ALOX5AP 805/4885FEN1 1981/4885GLP1R 983/4885

“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.