SCHEMBL4867798

SCHEMBL4867798

Nc1nc2c(s1)CC([C@H](NC(=O)O)C(=O)N1CC[C@H](F)C1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.61
SCN4A P35499 4/20 0.39
SCN3A Q9NY46 5/20 0.37
SCN9A Q15858 4/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
HRH2 P25021 2/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 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
SCHEMBL14003268 0.87 DPP4 (0.55) DPP4SCN4ASCN3ASCN9ADRD3
SCHEMBL14027124 0.87 DPP4 (0.55) DPP4SCN4ASCN3ASCN9ADRD3
SCHEMBL4869032 0.85 DPP4 (0.78) DPP4SCN4ASCN3ASCN9ADPP7
SCHEMBL14003266 0.83 DPP4 (0.51) DPP4SCN4ASCN3ASCN9ALMNA
SCHEMBL4866908 0.76 DPP4 (1.00) DPP4DPP7
SCHEMBL4861965 0.74 DPP4 (0.43) DPP4DPP7
SCHEMBL8296502 0.73 DPP4 (0.47) DPP4SCN4ASCN3ASCN9ADRD3
SCHEMBL4864281 0.72 DPP4 (0.73) DPP4LMNAMAPTDPP7
SCHEMBL4860587 0.71 DPP4 (0.71) DPP4DPP7
SCHEMBL4862371 0.69 DPP4 (0.39) DPP4DPP7

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 1/4885SCN4A 1772/4885SCN3A 2736/4885

“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.