SCHEMBL161730

SCHEMBL161730

Cc1noc(CC2CCC(c3ncc(-c4ccc(NC(=O)Nc5ccc(F)cc5F)cc4)s3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.50
SIRT2 Q8IXJ6 4/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
CSGALNACT1 Q8TDX6 1/20 0.41
KDR P35968 2/20 0.40
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KIT P10721 1/20 0.38
NTRK1 P04629 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL160838 0.92 DGAT1 (0.49) DGAT1SIRT2KDRAURKAFLT3
SCHEMBL173869 0.91 DGAT1 (0.49) DGAT1SIRT2KDRAURKAFLT3
SCHEMBL163177 0.91 DGAT1 (0.46) DGAT1SIRT2CSGALNACT1KDRAURKA
SCHEMBL162601 0.87 SIRT2 (0.45) DGAT1SIRT2KDRAURKAFLT3
SCHEMBL159500 0.87 DGAT1 (0.51) DGAT1PIK3CAMTORPIK3CGCSGALNACT1
SCHEMBL15022013 0.85 DGAT1 (0.47) DGAT1SIRT2KDRAURKAFLT3
SCHEMBL161656 0.85 DGAT1 (0.49) DGAT1SIRT2CSGALNACT1KDRAURKA
SCHEMBL162585 0.84 SIRT2 (0.42) DGAT1SIRT2KIT
SCHEMBL161999 0.83 DGAT1 (0.58) DGAT1PIK3CAMTORPIK3CGCSGALNACT1
SCHEMBL159302 0.83 DGAT1 (0.54) DGAT1PIK3CAMTORPIK3CGNPC1

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 1/4885SIRT2 472/4885PIK3CA 1213/4885

“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.