SCHEMBL15022013

SCHEMBL15022013

Cc1noc(CC2CCC(c3ncc(-c4ccc(NC(=O)c5cc(F)cc(F)c5)cc4)s3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.47
SIRT2 Q8IXJ6 7/20 0.41
KIT P10721 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
AURKA O14965 2/20 0.37
FLT3 P36888 2/20 0.37
KDR P35968 1/20 0.37
CSF1R P07333 1/20 0.36
IDO1 P14902 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCHR1 Q99705 2/20 0.36
CTSC P53634 1/20 0.35

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
SCHEMBL163177 0.91 DGAT1 (0.46) DGAT1SIRT2KITAURKAFLT3
SCHEMBL162585 0.90 SIRT2 (0.42) DGAT1SIRT2KIT
SCHEMBL161730 0.85 DGAT1 (0.50) DGAT1SIRT2KITAURKAFLT3
SCHEMBL160838 0.85 DGAT1 (0.49) DGAT1SIRT2KITAURKAFLT3
SCHEMBL162601 0.84 SIRT2 (0.45) DGAT1SIRT2KITAURKAFLT3
SCHEMBL162078 0.83 ACR (0.44) DGAT1SIRT2KITCSF1RMAPT
SCHEMBL173869 0.83 DGAT1 (0.49) DGAT1SIRT2KITAURKAFLT3
SCHEMBL161656 0.80 DGAT1 (0.49) DGAT1SIRT2KITAURKAFLT3
SCHEMBL162326 0.78 DGAT1 (0.44) DGAT1SIRT2KITMAPT
SCHEMBL162955 0.77 DGAT1 (0.47) DGAT1KITAURKAFLT3KDR

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 2 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
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 472/4885KIT 4789/4885

“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.