SCHEMBL173869

SCHEMBL173869

Cc1noc(CC2CCC(c3ncc(-c4ccc(NC(=O)Nc5ccccc5F)cc4)s3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.49
SIRT2 Q8IXJ6 6/20 0.45
KDR P35968 5/20 0.41
FLT3 P36888 3/20 0.41
KIT P10721 2/20 0.41
TEK Q02763 2/20 0.40
AURKA O14965 2/20 0.39
EPHB4 P54760 1/20 0.39
GAA P10253 1/20 0.39
DDX3X O00571 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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) DGAT1SIRT2KDRFLT3KIT
SCHEMBL161730 0.91 DGAT1 (0.50) DGAT1SIRT2KDRFLT3KIT
SCHEMBL160838 0.91 DGAT1 (0.49) DGAT1SIRT2KDRFLT3KIT
SCHEMBL161656 0.91 DGAT1 (0.49) DGAT1SIRT2KDRFLT3KIT
SCHEMBL163177 0.89 DGAT1 (0.46) DGAT1SIRT2KDRFLT3KIT
SCHEMBL162585 0.89 SIRT2 (0.42) DGAT1SIRT2KIT
SCHEMBL15022013 0.83 DGAT1 (0.47) DGAT1SIRT2KDRFLT3KIT
SCHEMBL162078 0.83 ACR (0.44) DGAT1SIRT2KIT
SCHEMBL165064 0.83 DGAT1 (0.57) DGAT1KDRFLT3KITTEK
SCHEMBL162638 0.81 DGAT1 (0.59) DGAT1KDRTEKEPHB4NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 1/4885SIRT2 472/4885KDR 4203/4885

“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.