SCHEMBL173898

SCHEMBL173898

COC(=O)C1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
SLC6A3 Q01959 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
XDH P47989 1/20 0.43
APP P05067 2/20 0.41
CPT1A P50416 1/20 0.40
NAMPT P43490 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL174832 0.84 CYP3A4 (0.41) TRPV1
SCHEMBL170964 0.79 XDH (0.44) MAPTSLC6A3SLC6A2SLC6A4XDH
SCHEMBL162685 0.79 DGAT1 (0.46) MAPTSLC6A3SLC6A2SLC6A4
SCHEMBL161939 0.79 DGAT1 (0.56) NAMPTTRPV1
SCHEMBL173905 0.79 DGAT1 (0.52) MAPTSLC6A3SLC6A2SLC6A4XDH
SCHEMBL160635 0.78 CNR1 (0.50) MAPT
SCHEMBL174426 0.78 SLC6A2 (0.41) MAPTSLC6A3SLC6A2SLC6A4XDH
SCHEMBL15034717 0.78 XDH (0.49) MAPTSLC6A3SLC6A2SLC6A4XDH
SCHEMBL174674 0.78 SLC6A2 (0.41) MAPTSLC6A3SLC6A2SLC6A4XDH
SCHEMBL174791 0.78 CPT1A (0.42) MAPTSLC6A3SLC6A2SLC6A4XDH

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 MAPT 137/4885SLC6A3 418/4885SLC6A2 449/4885

“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.