SCHEMBL161358

SCHEMBL161358

CCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.52
HRH3 Q9Y5N1 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NTRK1 P04629 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.40
CSGALNACT1 Q8TDX6 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
KDR P35968 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 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
SCHEMBL161945 0.92 DGAT1 (0.51) DGAT1NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL162246 0.90 DGAT1 (0.41) DGAT1NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL161469 0.89 DGAT1 (0.49) DGAT1NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL163102 0.89 L3MBTL1 (0.42) DGAT1NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL161999 0.88 DGAT1 (0.58) DGAT1HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL161899 0.88 DGAT1 (0.51) DGAT1HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL162607 0.86 DGAT1 (0.53) DGAT1HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL164678 0.85 DGAT1 (0.56) DGAT1HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL159302 0.85 DGAT1 (0.54) DGAT1HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL163875 0.84 DGAT1 (0.44) DGAT1NPC1RAB9ASMN1; SMN2LMNA

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 1/4885HRH3 3032/4885NPC1 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.