SCHEMBL161219

SCHEMBL161219

O=C(Nc1ccc(-c2cnc(C34CC5CC(CC(C(=O)O)(C5)C3)C4)s2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.54
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
EPHX2 P34913 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL161700 0.92 DGAT1 (0.53) DGAT1EPHX2KMT2ACA12CA1
SCHEMBL175829 0.91 DGAT1 (0.50) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL164213 0.90 EPHX2 (0.54) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL161756 0.89 EPHX2 (0.42) DGAT1EPHX2KMT2ACA12CA1
SCHEMBL163047 0.89 DGAT1 (0.51) DGAT1EPHX2KMT2AIKBKBRARA
SCHEMBL161059 0.86 CNR1 (0.42) DGAT1EPHX2KMT2ACA12CA1
SCHEMBL176318 0.85 DGAT1 (0.52) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL163081 0.83 DGAT1 (0.53) DGAT1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL162546 0.83 DGAT1 (0.49) DGAT1SMN1; SMN2EPHX2KMT2ACA12
SCHEMBL163187 0.82 DGAT1 (0.53) DGAT1RAB9ASMN1; SMN2HTTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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 (1 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885NPC1 86/4885RAB9A 1781/4885

“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.