SCHEMBL6702249

SCHEMBL6702249

N#C[C@@H]1CCCN1C(=O)NCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.78
DPP7 Q9UHL4 4/20 0.78
DPP8 Q6V1X1 3/20 0.55
ALDH1A1 P00352 1/20 0.49
DPP9 Q86TI2 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL6702254 1.00 DPP4 (0.78) DPP4DPP7DPP8ALDH1A1DPP9
SCHEMBL6594019 0.88 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6702319 0.85 DPP4 (0.67) DPP4DPP7DPP8ALDH1A1POLB
SCHEMBL6702316 0.85 DPP4 (0.67) DPP4DPP7DPP8ALDH1A1POLB
SCHEMBL5360154 0.77 DPP4 (0.73) DPP4DPP7DPP8DPP9
SCHEMBL5360157 0.77 DPP4 (0.73) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL6290513 0.77 DPP4 (0.72) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL4717809 0.77 DPP4 (0.72) DPP4DPP7DPP8DPP9
Cadaverine Tartrate SCHEMBL6703092 0.74 DPP4 (0.67) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL2708998 0.74 DPP4 (0.77) DPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 DPP4 1/4885DPP7 4/4885DPP8 6/4885

“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.