SCHEMBL175829

SCHEMBL175829

COC(=O)C12CC3CC(C1)CC(c1ncc(-c4ccc(NC(=O)Nc5ccc(F)cc5F)cc4)s1)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 5/20 0.41
KDR P35968 2/20 0.40
NTRK1 P04629 1/20 0.40
PDGFRB P09619 1/20 0.40
HTT P42858 2/20 0.40
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
PDGFRA P16234 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
SCHEMBL162546 0.92 DGAT1 (0.49) DGAT1SMN1; SMN2LMNAMAPTKDR
SCHEMBL161219 0.91 DGAT1 (0.54) DGAT1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL162102 0.90 EPHX2 (0.52) DGAT1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL161985 0.90 EPHX2 (0.41) DGAT1SMN1; SMN2LMNAMAPTNTRK1
SCHEMBL161816 0.89 DGAT1 (0.47) DGAT1SMN1; SMN2LMNAMAPTKDR
SCHEMBL175824 0.87 EPHX2 (0.40) DGAT1SMN1; SMN2LMNAKDREPHX2
SCHEMBL161249 0.84 DGAT1 (0.49) DGAT1NPC1RAB9ALMNAMAPT
SCHEMBL161700 0.83 DGAT1 (0.53) DGAT1NTRK1EPHX2CA12CA1
SCHEMBL161801 0.82 DGAT1 (0.50) DGAT1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL164213 0.81 EPHX2 (0.54) DGAT1NPC1RAB9ASMN1; SMN2MAPT

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.