SCHEMBL4941902

SCHEMBL4941902

Nc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2c(-c3ccccc3)cnn12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.69
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RXFP1 Q9HBX9 1/20 0.55
KDR P35968 5/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
STAT1 P42224 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.44
SOAT1 P35610 1/20 0.44
LCK P06239 2/20 0.44

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
SCHEMBL4558171 0.82 NPC1 (0.67) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL4933360 0.82 DGAT1 (0.71) DGAT1ALDH1A1SOAT1
SCHEMBL4943142 0.82 DGAT1 (1.00) DGAT1KDRSOAT1
SCHEMBL4937509 0.78 DGAT1 (0.72) DGAT1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4948253 0.78 DGAT1 (0.72) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4937122 0.77 DGAT1 (0.71) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL4341260 0.76 DGAT1 (0.63) DGAT1RAB9ARXFP1KDM4EMAPT
SCHEMBL14813113 0.76 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL4933403 0.76 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL4475120 0.75 DGAT1 (0.67) DGAT1NPC1RAB9AKDM4EALDH1A1

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 1/4885NPC1 106/4885RAB9A 2009/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885NPC1 106/4885RAB9A 2008/4885

“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.