SCHEMBL5648690

SCHEMBL5648690

CC1Cn2c(nnc2C(F)(F)F)C(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
DPP4 P27487 13/20 0.35
CYP8B1 Q9UNU6 1/20 0.35
DPP8 Q6V1X1 6/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPT P10636 1/20 0.33
DPP9 Q86TI2 5/20 0.33
DPP7 Q9UHL4 2/20 0.33
CETP P11597 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL5935850 0.80 DPP4 (0.48) P2RX7DPP4DPP8DPP7
SCHEMBL5935844 0.76 DPP4 (0.49) P2RX7DPP4CYP8B1DPP8DPP9
SCHEMBL5653362 0.76 DPP4 (0.49) P2RX7DPP4CYP8B1DPP8DPP9
SCHEMBL29649992 0.72 DPP4 (0.42) P2RX7DPP4CYP8B1DPP8DPP7
SCHEMBL29650119 0.71 CYP8B1 (0.49) P2RX7DPP4CYP8B1DPP8DPP9
SCHEMBL16790034 0.71 DPP4 (0.39) DPP4CYP8B1DPP8DPP9GPR119
SCHEMBL16789995 0.71 DPP4 (0.41) DPP4DPP8DPP9CETP
SCHEMBL16790052 0.70 DPP4 (0.32) DPP4DPP8MAPTDPP9DPP7
SCHEMBL16790038 0.70 DPP4 (0.38) DPP4DPP8DPP9GPR119
SCHEMBL16790044 0.70 DPP4 (0.42) P2RX7DPP4DPP8DPP9DPP7

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 P2RX7 1712/4885DPP4 1/4885CYP8B1 259/4885

“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.