SCHEMBL174791

SCHEMBL174791

CC(C)(C)OC(=O)CC1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
DGAT1 O75907 1/20 0.40
XDH P47989 1/20 0.39
NR1D1 P20393 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LMNA P02545 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL173905 0.87 DGAT1 (0.52) CPT1ASLC6A2SLC6A4SLC6A3DGAT1
SCHEMBL173689 0.86 ALOX5AP (0.39) DGAT1TRPV1ALOX5APFEN1
SCHEMBL170964 0.85 XDH (0.44) CPT1ASLC6A2SLC6A4SLC6A3DGAT1
SCHEMBL163959 0.82 ALDH1A1 (0.52) CPT1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL174426 0.81 SLC6A2 (0.41) CPT1ASLC6A2SLC6A4SLC6A3XDH
SCHEMBL159937 0.81 CPT1A (0.44) CPT1ASLC6A2SLC6A4SLC6A3XDH
SCHEMBL174674 0.81 SLC6A2 (0.41) CPT1ASLC6A2SLC6A4SLC6A3DGAT1
SCHEMBL161813 0.79 CPT1A (0.42) CPT1ASLC6A2SLC6A4SLC6A3XDH
SCHEMBL176031 0.79 SLC6A2 (0.40) CPT1ASLC6A2SLC6A4SLC6A3DGAT1
SCHEMBL176029 0.79 SLC6A2 (0.40) CPT1ASLC6A2SLC6A4SLC6A3DGAT1

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 CPT1A 4/4885SLC6A2 449/4885SLC6A4 1375/4885

“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.