SCHEMBL5653362

SCHEMBL5653362

CC1Cn2c(nnc2C(F)(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.49
DPP9 Q86TI2 2/20 0.49
DPP7 Q9UHL4 2/20 0.49
DPP8 Q6V1X1 2/20 0.49
PARP1 P09874 4/20 0.43
PARP2 Q9UGN5 4/20 0.43
PARP3 Q9Y6F1 4/20 0.43
CYP8B1 Q9UNU6 4/20 0.42
P2RX7 Q99572 5/20 0.39
TNKS O95271 1/20 0.39
PARP6 Q2NL67 1/20 0.39
GPR119 Q8TDV5 1/20 0.35
MAP4K4 O95819 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
SCHEMBL31177321 0.90 DPP4 (0.43) DPP4DPP9DPP7DPP8PARP1
SCHEMBL20099681 0.82 P2RX7 (0.36) DPP4DPP9DPP7DPP8P2RX7
SCHEMBL21253287 0.82 P2RX7 (0.36) DPP4DPP9DPP7DPP8P2RX7
SCHEMBL17596463 0.80 P2RX7 (0.52) P2RX7GPR119
SCHEMBL17596464 0.80 P2RX7 (0.52) P2RX7GPR119
SCHEMBL17596276 0.77 P2RX7 (0.59) P2RX7
SCHEMBL17596277 0.77 P2RX7 (0.59) P2RX7
SCHEMBL5648690 0.76 P2RX7 (0.38) DPP4DPP9DPP7DPP8CYP8B1
SCHEMBL3134930 0.75 CYP8B1 (0.54) DPP4DPP9DPP7DPP8CYP8B1
SCHEMBL5935898 0.75 PDK1 (0.45) PARP1PARP2PARP3CYP8B1P2RX7

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-7307164-B2 β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-11 US disclosed
US-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2005-05-19 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-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP9 4/4885DPP7 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.