SCHEMBL3539137

SCHEMBL3539137

O=C(O)N[C@H]1Cn2c(nc3cc([N+](=O)[O-])ccc32)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
DPP7 Q9UHL4 14/20 0.53
DPP9 Q86TI2 5/20 0.52
KCNH2 Q12809 5/20 0.51
CYP2D6 P10635 4/20 0.50
DPP8 Q6V1X1 2/20 0.49

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
SCHEMBL3539134 1.00 DPP4 (0.53) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL3532200 0.86 DPP4 (0.58) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2420871 0.82 DPP4 (0.67) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2470438 0.82 DPP4 (0.51) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2468400 0.80 DPP4 (0.49) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL3534838 0.79 DPP4 (0.53) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL4457362 0.77 DPP4 (0.47) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2415970 0.76 DPP4 (0.46) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2411984 0.75 DPP4 (0.45) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2473125 0.75 DPP4 (0.43) DPP4DPP7DPP9KCNH2CYP2D6

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 1/4885DPP7 3/4885DPP9 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.