SCHEMBL6702316

SCHEMBL6702316

N#C[C@@H]1CCCN1CC(=O)NCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.67
DPP7 Q9UHL4 3/20 0.67
ALDH1A1 P00352 1/20 0.57
DPP8 Q6V1X1 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
MAPK8 P45983 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL6702319 1.00 DPP4 (0.67) DPP4DPP7ALDH1A1DPP8SMN1; SMN2
SCHEMBL6702249 0.85 DPP4 (0.78) DPP4DPP7ALDH1A1DPP8POLB
SCHEMBL6702254 0.85 DPP4 (0.78) DPP4DPP7ALDH1A1DPP8POLB
SCHEMBL6594019 0.80 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6697154 0.74 ALDH1A1 (0.63) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL29395449 0.72 POLB (0.63) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL7994938 0.71 POLB (0.62) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL5360157 0.70 DPP4 (0.73) DPP4DPP7DPP8
SCHEMBL5360154 0.70 DPP4 (0.73) DPP4DPP7DPP8
SCHEMBL7233175 0.70 GAA (0.65) DPP4ALDH1A1SMN1; SMN2POLBMAPK8

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 4/4885ALDH1A1 925/4885

“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.