SCHEMBL164065

SCHEMBL164065

CC(C)(C(=O)O)N1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.56
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
CSGALNACT1 Q8TDX6 1/20 0.40
GAA P10253 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

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
SCHEMBL160147 0.92 DGAT1 (0.55) DGAT1CA12CA1CA2CA9
SCHEMBL164061 0.90 DGAT1 (0.51) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL162213 0.90 DGAT1 (0.55) DGAT1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL162248 0.90 DGAT1 (0.45) DGAT1
SCHEMBL160802 0.89 DGAT1 (0.50) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL164728 0.87 DGAT1 (0.56) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL159347 0.86 DGAT1 (0.52) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL159643 0.86 DGAT1 (0.57) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL161432 0.86 DGAT1 (0.55) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL162343 0.85 DGAT1 (0.56) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2

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 1/4885PIK3CA 1213/4885MTOR 996/4885

“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.