SCHEMBL4171016

SCHEMBL4171016

N#C[C@@H]1CCCN1C(=O)C(N)Cc1c[nH]c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.63
DPP8 Q6V1X1 16/20 0.63
DPP9 Q86TI2 16/20 0.63
DPP7 Q9UHL4 11/20 0.63
FAP Q12884 11/20 0.51

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
SCHEMBL4171014 1.00 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL4108438 1.00 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
Trifluoroacetic Acid SCHEMBL4159848 0.95 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP
Trifluoroacetic Acid SCHEMBL4102171 0.95 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP
SCHEMBL8248410 0.92 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL4167916 0.92 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL4168303 0.92 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL13803837 0.91 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL13804096 0.91 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
SCHEMBL4168001 0.89 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP

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 1/4885DPP8 5/4885DPP9 4/4885

“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.