SCHEMBL160673

SCHEMBL160673

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CDK8 P49336 2/20 0.46
TEK Q02763 3/20 0.44
KDR P35968 4/20 0.44
KIT P10721 3/20 0.44
ROCK2 O75116 2/20 0.44
LIMK1 P53667 2/20 0.44
AURKA O14965 2/20 0.43
MAP4K4 O95819 2/20 0.43
LCK P06239 2/20 0.43
MET P08581 2/20 0.43
ROCK1 Q13464 2/20 0.43
AURKB Q96GD4 2/20 0.43
PDGFRA P16234 2/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL174097 0.93 DGAT1 (0.58) DGAT1NPC1RAB9AMEN1MAPT
SCHEMBL161939 0.90 DGAT1 (0.56) DGAT1KDRKITAURKAPDGFRB
SCHEMBL163741 0.90 DGAT1 (0.48) DGAT1NPC1RAB9AMEN1MAPT
SCHEMBL163926 0.90 DGAT1 (0.61) DGAT1CDK8TEKKDRKIT
SCHEMBL161902 0.89 DGAT1 (0.46) DGAT1NPC1RAB9AMEN1MAPT
SCHEMBL15022189 0.88 DGAT1 (0.54) DGAT1NPC1RAB9AMEN1MAPT
SCHEMBL161308 0.88 DGAT1 (0.61) DGAT1NPC1RAB9AMAPTKDR
SCHEMBL174112 0.88 DGAT1 (0.48) DGAT1NPC1RAB9AMAPTKMT2A
SCHEMBL162685 0.86 DGAT1 (0.46) DGAT1NPC1RAB9AMEN1MAPT
SCHEMBL160661 0.86 DGAT1 (0.59) DGAT1MAPTKDRPDGFRBNTRK1

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.