SCHEMBL3539136

SCHEMBL3539136

O=C(O)N[C@@H]1Cc2c(nc3cc([N+](=O)[O-])ccn23)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ADAMTS4 O75173 2/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
MMP3 P08254 1/20 0.32
TDP2 O95551 2/20 0.32
DPP7 Q9UHL4 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL17137872 0.84 DPP4 (0.33) DPP4DPP7
SCHEMBL17137865 0.83 DPP4 (0.35) DPP4DPP7
SCHEMBL2470441 0.81 DPP4 (0.35) DPP4MAPTNPC1CASP3RAB9A
SCHEMBL17137867 0.81 DPP4 (0.31) DPP4DPP7
SCHEMBL17137856 0.80 DPP4 (0.33) DPP4ADAMTS4ADAMTS5MMP3DPP7
SCHEMBL3533168 0.80 DPP4 (0.43) DPP4MAPTADAMTS4ADAMTS5MMP3
SCHEMBL17137855 0.80 DPP4 (0.33) DPP4ADAMTS4ADAMTS5MMP3DPP7
SCHEMBL12477152 0.80 DPP4 (0.33) DPP4DPP7ALDH1A1
SCHEMBL17137854 0.80 DPP4 (0.33) DPP4DPP7
SCHEMBL17137877 0.79 DPP4 (0.30) DPP4

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-7718667-B2 Fused aminopiperidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-05-18 US disclosed
US-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-10 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-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885MAPT 3208/4885NPC1 1810/4885

“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.