SCHEMBL4167934

SCHEMBL4167934

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N1CCCC1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
CTSL P07711 1/20 0.43
SCN9A Q15858 1/20 0.42
CCKAR P32238 1/20 0.42

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
SCHEMBL4106136 0.94 SCN9A (0.47) CCKBRF13A1TGM2MEN1KMT2A
SCHEMBL4269095 0.88 CCKBR (0.46) CCKBRMEN1KMT2AF2PRSS1
SCHEMBL4117214 0.88 CCKBR (0.46) CCKBRMEN1KMT2AF2PRSS1
SCHEMBL4110240 0.87 DPP4 (0.46) CCKBRCTSLCCKAR
SCHEMBL4108691 0.86 SCN9A (0.46) CCKBRMEN1KMT2AF2PRSS1
SCHEMBL4267961 0.86 SCN9A (0.46) CCKBRMEN1KMT2AF2PRSS1
SCHEMBL4162902 0.84 SCN9A (0.45) CCKBRMEN1KMT2AF2PRSS1
SCHEMBL4265005 0.84 SCN9A (0.45) CCKBRMEN1KMT2AF2PRSS1
SCHEMBL4106151 0.84 SCN9A (0.45) CCKBRMEN1KMT2AF2PRSS1
SCHEMBL4170507 0.84 SCN9A (0.45) CCKBRMEN1KMT2AF2PRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2009-06-11 US disclosed
EP-1912706-A4 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS AURIGENE DISCOVERY TECHNOLOGIE (IN) 2009-05-27 EP disclosed
EP-1912706-A2 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS Aurigene Discovery Technologies Limited (IN) 2008-04-23 EP disclosed
WO-2006134613-A2 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2006-12-21 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-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors DPP4, DPP3, DPP7 CCKBR 1192/4885F13A1 3923/4885TGM2 2515/4885

“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.