SCHEMBL4482079

SCHEMBL4482079

COC(=O)c1ccc(C2CCC3(CC2)OCCO3)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 3/20 0.39
TRPV3 Q8NET8 1/20 0.39
POLB P06746 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CRBN Q96SW2 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
DDB1 Q16531 2/20 0.36
SPR P35270 1/20 0.36
HPGD P15428 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
SCHEMBL17645765 0.84 MAPK1 (0.57) MAPK1KDM4EL3MBTL1CRBNRAB9A
SCHEMBL25953854 0.84 MAPK1 (0.57) MAPK1KDM4EL3MBTL1CRBNRAB9A
SCHEMBL3496971 0.80 RAB9A (0.49) KDM4EPOLBGPR119RAB9ANPC1
SCHEMBL27138635 0.80 ALOX15 (0.43) MAPK1KDM4EL3MBTL1PDE10ATRPV3
SCHEMBL31413455 0.80 ALOX15 (0.43) MAPK1KDM4EL3MBTL1PDE10ATRPV3
SCHEMBL4942235 0.80 GPR119 (0.38) MAPK1PDE10ATRPV3GPR119
SCHEMBL20400835 0.80 MAPK1 (0.53) MAPK1KDM4EL3MBTL1RAB9ANPC1
SCHEMBL629954 0.79 TRPV3 (0.42) MAPK1KDM4EPDE10ATRPV3CRBN
SCHEMBL4470346 0.78 GPR119 (0.37) MAPK1PDE10ATRPV3GPR119
SCHEMBL15984766 0.76 MAPK1 (0.49) MAPK1KDM4EL3MBTL1CRBNRAB9A

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-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 MAPK1 222/4885KDM4E 3158/4885L3MBTL1 2297/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MAPK1 227/4885KDM4E 3211/4885L3MBTL1 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.