SCHEMBL173822

SCHEMBL173822

Cc1noc(CC2CCC(c3ncc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 4/20 0.45
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
XDH P47989 1/20 0.38
DGAT1 O75907 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
APP P05067 1/20 0.34
GSTP1 P09211 1/20 0.33
QPCT Q16769 1/20 0.33
CPT1A P50416 1/20 0.33
KIT P10721 1/20 0.33

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 0.85 DGAT1 (0.44) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL174413 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL162601 0.79 SIRT2 (0.45) DGAT1SIRT2KIT
SCHEMBL163177 0.77 DGAT1 (0.46) MAPTDGAT1LMNASIRT2KIT
SCHEMBL15022013 0.76 DGAT1 (0.47) MAPTDGAT1L3MBTL1SIRT2KIT
SCHEMBL170964 0.76 XDH (0.44) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL160838 0.76 DGAT1 (0.49) DGAT1SIRT2KIT
SCHEMBL173869 0.76 DGAT1 (0.49) DGAT1SMN1; SMN2HTTSIRT2KIT
SCHEMBL161656 0.76 DGAT1 (0.49) MAPTDGAT1SIRT2KIT
SCHEMBL173905 0.75 DGAT1 (0.52) SLC6A2SLC6A4SLC6A3MAPTALDH1A1

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 3 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 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 SLC6A2 449/4885SLC6A4 1375/4885SLC6A3 418/4885

“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.