SCHEMBL4939645

SCHEMBL4939645

O=C(O)CC1CCC(c2ccc(-c3[nH]nc(OCC4CCOCC4)c3Br)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.40
SOAT1 P35610 5/20 0.40
ATXN2 Q99700 1/20 0.39
FAAH O00519 1/20 0.39
CHRM2 P08172 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL4483189 0.94 DGAT1 (0.44) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4481924 0.91 DGAT1 (0.42) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL14813220 0.80 DGAT1 (0.41) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4940705 0.80 DGAT1 (0.41) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL27790837 0.80 FASN (0.39) DGAT1
SCHEMBL4478180 0.79 DGAT1 (0.44) DGAT1SOAT1ATXN2FAAHCHRM2
SCHEMBL27769664 0.78 FASN (0.35)
SCHEMBL4481941 0.72 DGAT1 (0.47) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4481109 0.70 DGAT1 (0.44) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL14813110 0.69 DGAT1 (0.45) DGAT1SOAT1FAAHCHRM2DGAT2

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 DGAT1 1/4885SOAT1 4/4885ATXN2 2695/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885SOAT1 4/4885ATXN2 2727/4885

“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.