SCHEMBL4167736

SCHEMBL4167736

CC(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N1CC(F)CC1C#N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.55
FAP Q12884 12/20 0.55
DPP7 Q9UHL4 12/20 0.55
DPP8 Q6V1X1 11/20 0.44
DPP9 Q86TI2 11/20 0.44
NQO2 P16083 1/20 0.43
KCNH2 Q12809 1/20 0.42
PTPRA P18433 1/20 0.41

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
SCHEMBL4167734 1.00 DPP4 (0.55) DPP4FAPDPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL4163377 0.86 DPP4 (0.64) DPP4FAPDPP7DPP8DPP9
SCHEMBL13803965 0.82 DPP4 (0.63) DPP4FAPDPP7DPP8DPP9
SCHEMBL8251913 0.79 DPP4 (0.49) DPP4FAPDPP7DPP8DPP9
SCHEMBL4168851 0.78 DPP4 (0.64) DPP4FAPDPP7DPP8DPP9
SCHEMBL13803963 0.78 DPP4 (0.55) DPP4FAPDPP7DPP8DPP9
SCHEMBL13804096 0.77 DPP4 (0.51) DPP4FAPDPP7DPP8DPP9
SCHEMBL8248410 0.74 DPP4 (0.66) DPP4FAPDPP7DPP8DPP9
SCHEMBL4168303 0.74 DPP4 (0.66) DPP4FAPDPP7DPP8DPP9
SCHEMBL4167916 0.74 DPP4 (0.66) DPP4FAPDPP7DPP8DPP9

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 1 patent. 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

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 DPP4 1/4885FAP 54/4885DPP7 3/4885

“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.