SCHEMBL4472216

SCHEMBL4472216

CCOC(=O)CC1CCC(c2ccc(-c3cc(C(=O)OCC)n[nH]3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.50
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.46
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SOAT1 P35610 3/20 0.38
FAAH O00519 1/20 0.37
CHRM2 P08172 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL14813112 0.92 DGAT1 (0.50) DGAT1NPSR1L3MBTL1KMT2AJAK2
SCHEMBL4937714 0.79 DGAT1 (0.52) DGAT1L3MBTL1JAK2JAK1TYK2
SCHEMBL4937718 0.79 DGAT1 (0.52) DGAT1L3MBTL1JAK2JAK1TYK2
SCHEMBL27769397 0.78 DGAT1 (0.44) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL27790808 0.77 DGAT1 (0.43) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL4470890 0.77 DGAT1 (0.52) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL11887698 0.77 KMT2A (0.60) NPSR1L3MBTL1KMT2APOLBTP53
SCHEMBL180761 0.77 DGAT1 (0.49) DGAT1KMT2AJAK2JAK1TYK2
SCHEMBL71634 0.76 KMT2A (0.59) NPSR1L3MBTL1KMT2APOLBTP53
SCHEMBL27769423 0.76 DGAT1 (0.51) DGAT1L3MBTL1JAK2JAK1TYK2

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 12 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
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO 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
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 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-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885NPSR1 3371/4885L3MBTL1 2297/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885NPSR1 3388/4885L3MBTL1 2229/4885

“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.