SCHEMBL164061

SCHEMBL164061

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.51
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
HTT P42858 2/20 0.39
NTRK1 P04629 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
EPHX2 P34913 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL15022043 0.92 DGAT1 (0.50) DGAT1NTRK1KDR
SCHEMBL160802 0.91 DGAT1 (0.50) DGAT1PIK3CAMTORPIK3CGNPC1
SCHEMBL162092 0.91 DGAT1 (0.50) DGAT1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL162204 0.91 DGAT1 (0.41) DGAT1LMNAMAPTKDREPHX2
SCHEMBL164065 0.90 DGAT1 (0.56) DGAT1PIK3CAMTORPIK3CGNPC1
SCHEMBL159347 0.90 DGAT1 (0.52) DGAT1PIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL161788 0.89 DGAT1 (0.50) DGAT1PIK3CAMTORPIK3CGNPC1
SCHEMBL158738 0.84 DGAT1 (0.51) DGAT1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL164728 0.84 DGAT1 (0.56) DGAT1PIK3CAMTORPIK3CGNPC1
SCHEMBL161432 0.83 DGAT1 (0.55) 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 1/4885PIK3CA 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.