SCHEMBL2469613

SCHEMBL2469613

Nc1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.71
CYP2D6 P10635 4/20 0.71
DPP7 Q9UHL4 14/20 0.68
DPP9 Q86TI2 5/20 0.68
KCNH2 Q12809 5/20 0.66
DPP8 Q6V1X1 2/20 0.60

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
SCHEMBL13342410 1.00 DPP4 (0.71) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL8261829 1.00 DPP4 (0.71) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL13342393 0.86 DPP4 (0.82) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL12194921 0.85 DPP4 (0.87) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL8259100 0.83 DPP4 (1.00) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL12284230 0.83 DPP4 (1.00) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL8243254 0.83 DPP4 (1.00) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL8258837 0.82 DPP4 (0.82) DPP4CYP2D6DPP7DPP9KCNH2
Hydrochloric Acid SCHEMBL2417341 0.82 DPP4 (1.00) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL3532200 0.81 DPP4 (0.58) DPP4CYP2D6DPP7DPP9KCNH2

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.