SCHEMBL14003263

SCHEMBL14003263

CC(C)(C)OC(=O)NC(C(=O)N1CC[C@H](F)C1)C1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.39
DPP7 Q9UHL4 6/20 0.38
AAK1 Q2M2I8 2/20 0.37
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 1/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 2/20 0.35
KMT2A Q03164 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL14027242 1.00 DPP4 (0.39) DPP4DPP7AAK1DPP8DPP9
SCHEMBL6809878 0.87 DPP4 (0.52) DPP4DPP7AAK1DPP8DPP9
SCHEMBL6809881 0.87 DPP4 (0.52) DPP4DPP7AAK1DPP8DPP9
SCHEMBL13412181 0.87 DPP4 (0.40) DPP4DPP7DPP8DPP9TSHR
SCHEMBL8276056 0.87 DPP4 (0.40) DPP4DPP7DPP8DPP9TSHR
SCHEMBL14003262 0.86 DPP4 (0.40) DPP4DPP7AAK1DPP8DPP9
SCHEMBL8296471 0.86 DPP4 (0.40) DPP4DPP7AAK1DPP8DPP9
SCHEMBL14272063 0.85 CTSL (0.41) AAK1KMT2AITGB3ITGA2BMEN1
SCHEMBL6358510 0.85 DPP4 (0.41) DPP4DPP7AAK1DPP8DPP9
SCHEMBL6358508 0.85 DPP4 (0.41) DPP4DPP7AAK1DPP8DPP9

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
US-7456204-B2 Cyclohexylglycine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-11-25 US disclosed
US-20070021477-A1 Cyclohexylglycine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
CN-1809544-A Cyclohexylglycine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2006-07-26 CN 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-20070021477-A1 Cyclohexylglycine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885AAK1 1746/4885

“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.