SCHEMBL4861965

SCHEMBL4861965

O=C1CCC(C(NC(=O)O)C(=O)N2CC[C@H](F)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.43
DPP7 Q9UHL4 11/20 0.43
DPP8 Q6V1X1 5/20 0.39
DPP9 Q86TI2 3/20 0.39
KCNH2 Q12809 5/20 0.36

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
SCHEMBL4862371 0.83 DPP4 (0.39) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL4868355 0.83 DPP4 (0.46) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL3122924 0.82 CCR1 (0.38) DPP4DPP7KCNH2
SCHEMBL14003263 0.81 DPP4 (0.39) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL14027242 0.81 DPP4 (0.39) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL14003264 0.79 DPP4 (0.60) DPP4DPP7KCNH2
SCHEMBL8296942 0.79 DPP4 (0.60) DPP4DPP7KCNH2
SCHEMBL4867798 0.74 DPP4 (0.61) DPP4DPP7
SCHEMBL8276056 0.70 DPP4 (0.40) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL5515107 0.70 DPP4 (0.43) DPP4DPP7DPP8DPP9

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-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

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 3/4885DPP8 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.