SCHEMBL4933344

SCHEMBL4933344

Cc1ccccc1Nc1nc(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.46
CHRM2 P08172 1/20 0.46
SOAT1 P35610 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
PDE10A Q9Y233 1/20 0.46
SOAT2 O75908 1/20 0.45

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
SCHEMBL180686 0.89 DGAT1 (0.50) DGAT1NPC1POLBRAB9AALDH1A1
SCHEMBL4942376 0.89 DGAT1 (0.53) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL27769403 0.88 DGAT1 (0.52) DGAT1RAB9AFAAHCHRM2SOAT1
SCHEMBL4939307 0.86 DGAT1 (0.50) DGAT1MAPTMEN1KMT2ASOAT1
SCHEMBL4939205 0.80 ALOX5 (0.56) DGAT1NPC1RAB9ATDP1ALDH1A1
SCHEMBL4494798 0.80 ALOX5 (0.57) DGAT1SOAT1
SCHEMBL180791 0.79 CYP1A1 (0.54) DGAT1NPC1POLBRAB9AALDH1A1
SCHEMBL4939728 0.79 DGAT1 (0.56) DGAT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL180959 0.79 MEN1 (0.61) DGAT1NPC1RAB9AALDH1A1MAPT
SCHEMBL13664061 0.79 MEN1 (0.61) DGAT1NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885NPC1 106/4885POLB 2799/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885NPC1 106/4885POLB 2827/4885

“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.