SCHEMBL161308

SCHEMBL161308

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 2/20 0.43
KDR P35968 3/20 0.43
PDGFRB P09619 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
PDGFRA P16234 1/20 0.42
GAA P10253 1/20 0.41
NTRK1 P04629 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL173347 0.91 DGAT1 (0.51) DGAT1SMN1; SMN2MAPTHTTKDR
SCHEMBL160661 0.91 DGAT1 (0.59) DGAT1MAPTKDRPDGFRBNTRK1
SCHEMBL164677 0.90 DGAT1 (0.73) DGAT1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL162638 0.89 DGAT1 (0.59) DGAT1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15022055 0.89 DGAT1 (0.47) DGAT1MAPTKDRPDGFRBNTRK1
SCHEMBL160673 0.88 DGAT1 (0.49) DGAT1NPC1RAB9AMAPTKDR
SCHEMBL174097 0.88 DGAT1 (0.58) DGAT1NPC1RAB9AMAPTKDR
SCHEMBL163741 0.87 DGAT1 (0.48) DGAT1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL173286 0.87 KDR (0.49) DGAT1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL164678 0.86 DGAT1 (0.56) DGAT1SMN1; SMN2NPC1RAB9ALMNA

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 1/4885SMN1; SMN2 2105/4885NPC1 86/4885

“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.