SCHEMBL3132464

SCHEMBL3132464

O=C(O)N1CCn2c(nnc2C(F)(F)F)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.36
DPP8 Q6V1X1 8/20 0.35
DPP9 Q86TI2 4/20 0.35
CYP2D6 P10635 1/20 0.35
ACE P12821 1/20 0.32
HTR2A P28223 1/20 0.32
FAP Q12884 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
P2RX7 Q99572 1/20 0.32
AMY1A P0DUB6 1/20 0.31
PTPN1 P18031 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL16027598 0.76 P2RX7 (0.31) P2RX7
SCHEMBL12187621 0.62 DPP4 (0.53) DPP4DPP8DPP9ACEHTR2A
SCHEMBL21425239 0.62 DPP4 (0.53) DPP4DPP8DPP9ACEHTR2A
SCHEMBL22703440 0.62 DPP4 (0.53) DPP4DPP8DPP9ACEHTR2A
SCHEMBL27040452 0.61 DPP4 (0.43) DPP4DPP8DPP9ACEHTR2A
SCHEMBL1911524 0.61 DPP4 (0.55) DPP4DPP8DPP9ACEHTR2A
SCHEMBL14753309 0.61 PDK2 (0.52) DPP4DPP8DPP9ACEHTR2A
SCHEMBL25429026 0.60 DPP4 (0.56) DPP4DPP8DPP9ACEHTR2A
SCHEMBL19498827 0.60 DPP4 (0.48) DPP4DPP8DPP9ACEHTR2A
SCHEMBL10025046 0.60 DPP4 (0.59) DPP4DPP8DPP9ACEHTR2A

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-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 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.