SCHEMBL4937178

SCHEMBL4937178

Oc1cc(-c2ccc(C3CCC4(CC3)OCCO4)nc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
MAPK1 P28482 1/20 0.37
PDE10A Q9Y233 4/20 0.34
TRPV3 Q8NET8 1/20 0.34
IDO1 P14902 2/20 0.33
KDM5A P29375 1/20 0.32
JAK2 O60674 1/20 0.32
MAP3K5 Q99683 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
Hydrazine SCHEMBL4472691 0.97 NOTUM (0.41) NOTUMMAPK1PDE10ATRPV3IDO1
SCHEMBL16660961 0.76 TRPV3 (0.40) NOTUMMAPK1PDE10ATRPV3
SCHEMBL628734 0.74 PDE10A (0.39) NOTUMMAPK1PDE10ATRPV3KDM5A
Water SCHEMBL4472702 0.73 MAPK1 (0.38) NOTUMMAPK1PDE10ATRPV3IDO1
SCHEMBL4934121 0.72 ALOX5AP (0.36) NOTUMMAPK1
SCHEMBL25190562 0.71 TRPV3 (0.42) NOTUMMAPK1PDE10ATRPV3IDO1
SCHEMBL15167135 0.71 TRPV3 (0.40) NOTUMMAPK1PDE10ATRPV3HTT
SCHEMBL629954 0.69 TRPV3 (0.42) MAPK1PDE10ATRPV3IDO1MAPT
SCHEMBL3540420 0.69 IDO1 (0.40) MAPK1PDE10ATRPV3IDO1NPC1
SCHEMBL4482079 0.68 MAPK1 (0.44) MAPK1PDE10ATRPV3NPC1MAPT

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 5 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
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 NOTUM 242/4885MAPK1 222/4885PDE10A 1074/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT NOTUM 243/4885MAPK1 227/4885PDE10A 1099/4885

“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.