SCHEMBL176029

SCHEMBL176029

C/C(=N\O)NC(=O)CC1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
XDH P47989 1/20 0.37
CPT1A P50416 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DGAT1 O75907 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
APP P05067 1/20 0.33
VCP P55072 1/20 0.33
CTSC P53634 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL176030 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL176031 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL174674 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL174426 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL170964 0.82 XDH (0.44) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL173905 0.79 DGAT1 (0.52) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL174791 0.79 CPT1A (0.42) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL162844 0.77 CYP3A4 (0.40) ALDH1A1SMN1; SMN2DGAT1CSNK2A1TRPV1
SCHEMBL173898 0.76 MAPT (0.49) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL174413 0.72 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3XDHCPT1A

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.