SCHEMBL162326

SCHEMBL162326

Cc1noc(CC2CCC(c3ncc(-c4ccc(N)cc4)s3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.44
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ACHE P22303 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
MAP4K3 Q8IVH8 3/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
KIT P10721 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAP4K4 O95819 1/20 0.33
GCK P35557 1/20 0.33
MAP4K1 Q92918 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
CNR2 P34972 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL173822 0.85 SLC6A2 (0.45) DGAT1ALOX5APFEN1SIRT2SLC6A2
SCHEMBL162333 0.82 DGAT1 (0.40) DGAT1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL162601 0.81 SIRT2 (0.45) DGAT1SIRT2KIT
SCHEMBL163177 0.79 DGAT1 (0.46) DGAT1SIRT2KITMAPT
SCHEMBL15022013 0.78 DGAT1 (0.47) DGAT1SIRT2KITMAPT
SCHEMBL161656 0.78 DGAT1 (0.49) DGAT1SIRT2KITRAB9ANPC1
SCHEMBL173869 0.78 DGAT1 (0.49) DGAT1SIRT2KITRAB9ANPC1
SCHEMBL160838 0.78 DGAT1 (0.49) DGAT1SIRT2KIT
SCHEMBL162817 0.78 DGAT1 (0.41) DGAT1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL174183 0.72 SMN1; SMN2 (0.41) DGAT1ALOX5APFEN1MAP4K3RAB9A

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 1/4885ALOX5AP 545/4885FEN1 3792/4885

“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.