SCHEMBL2469615

SCHEMBL2469615

Nc1ccn2c3c(nc2c1)C[C@H](c1cc(F)c(F)cc1F)[C@H](N)C3

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.38
CYP2D6 P10635 2/20 0.38
DPP7 Q9UHL4 5/20 0.37
DPP9 Q86TI2 2/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12476418 0.84 DPP4 (0.41) DPP4CYP2D6DPP7DPP9DPP8
SCHEMBL15740038 0.84 DPP4 (0.41) DPP4CYP2D6DPP7DPP9DPP8
SCHEMBL15740022 0.84 DPP4 (0.42) DPP4CYP2D6DPP7DPP9DPP8
SCHEMBL12477297 0.84 DPP4 (0.46) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL15739881 0.84 DPP4 (0.46) DPP4DPP7DPP9DPP8KCNH2
Hydrochloric Acid SCHEMBL12476875 0.83 DPP4 (0.46) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL3535589 0.82 DPP4 (0.47) DPP4CYP2D6DPP7DPP9DPP8
SCHEMBL12476768 0.81 DPP4 (0.45) DPP4CYP2D6DPP7DPP9FAP
SCHEMBL3532203 0.81 DPP4 (0.35) DPP4CYP2D6DPP7DPP9DPP8
SCHEMBL2471779 0.81 DPP4 (0.33) DPP4CYP2D6DPP7DPP9DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819674-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
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 1/4885CYP2D6 558/4885DPP7 3/4885

“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.