SCHEMBL162333

SCHEMBL162333

Cc1nnc(CC2CCC(c3ncc(-c4ccc(N)cc4)s3)CC2)o1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
MAP4K3 Q8IVH8 4/20 0.34
SLC6A2 P23975 8/20 0.33
SLC6A4 P31645 8/20 0.33
SLC6A3 Q01959 8/20 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
BACE1 P56817 1/20 0.32
ENPP2 Q13822 3/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL162326 0.82 DGAT1 (0.44) DGAT1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL160576 0.81 DGAT1 (0.44) DGAT1
SCHEMBL162817 0.81 DGAT1 (0.41) DGAT1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL159701 0.78 IL2 (0.39) DGAT1ENPP2
SCHEMBL162955 0.78 DGAT1 (0.47) DGAT1ENPP2
SCHEMBL161809 0.77 DGAT1 (0.50) DGAT1ENPP2
SCHEMBL159069 0.77 DGAT1 (0.49) DGAT1ENPP2
SCHEMBL162787 0.77 DGAT1 (0.41) DGAT1ENPP2
SCHEMBL159500 0.76 DGAT1 (0.51) DGAT1
SCHEMBL174183 0.72 SMN1; SMN2 (0.41) DGAT1MAP4K3MAP4K4GCKMAP4K1

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 1/4885MAP4K3 1680/4885SLC6A2 449/4885

“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.