SCHEMBL161656

SCHEMBL161656

Cc1noc(CC2CCC(c3ncc(-c4ccc(NC(=O)Nc5ccccc5Cl)cc4)s3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.49
KDR P35968 4/20 0.41
FLT3 P36888 3/20 0.41
PDGFRB P09619 1/20 0.41
TEK Q02763 3/20 0.40
KIT P10721 2/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
AURKA O14965 2/20 0.39
EPHB4 P54760 1/20 0.39
ALOX5 P09917 2/20 0.39
EPHX2 P34913 2/20 0.39
CSGALNACT1 Q8TDX6 1/20 0.39
CNR1 P21554 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL162601 0.92 SIRT2 (0.45) DGAT1KDRFLT3KITSIRT2
SCHEMBL173869 0.91 DGAT1 (0.49) DGAT1KDRFLT3TEKKIT
SCHEMBL162078 0.89 ACR (0.44) DGAT1KITSIRT2MAPT
SCHEMBL163177 0.87 DGAT1 (0.46) DGAT1KDRFLT3KITSIRT2
SCHEMBL161809 0.87 DGAT1 (0.50) DGAT1KDRFLT3PDGFRBTEK
SCHEMBL160838 0.86 DGAT1 (0.49) DGAT1KDRFLT3KITSIRT2
SCHEMBL161730 0.85 DGAT1 (0.50) DGAT1KDRFLT3PDGFRBKIT
SCHEMBL164578 0.83 DGAT1 (0.58) DGAT1KDRTEKKITEPHB4
SCHEMBL162585 0.83 SIRT2 (0.42) DGAT1KITSIRT2
SCHEMBL161666 0.82 DGAT1 (0.59) DGAT1KDRTEKKITEPHB4

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 1/4885KDR 4203/4885FLT3 4106/4885

“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.