SCHEMBL4864281

SCHEMBL4864281

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.73
DPP7 Q9UHL4 7/20 0.45
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
DPP8 Q6V1X1 2/20 0.40
PIK3CG P48736 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNH2 Q12809 4/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4860587 0.87 DPP4 (0.71) DPP4DPP7RAB9ASMN1; SMN2NPC1
SCHEMBL4866908 0.85 DPP4 (1.00) DPP4DPP7DPP8KCNH2
SCHEMBL4869032 0.83 DPP4 (0.78) DPP4DPP7DPP8KCNH2
SCHEMBL4868510 0.82 DPP4 (0.64) DPP4DPP7DPP8KCNH2
SCHEMBL4866005 0.79 DPP4 (0.56) DPP4DPP7DPP8ALDH1A1KCNH2
SCHEMBL8297900 0.78 DPP4 (0.44) DPP4RAB9ASMN1; SMN2NPC1PIK3CG
SCHEMBL4898729 0.75 DPP4 (0.65) DPP4DPP7DPP8KCNH2
SCHEMBL4898736 0.75 DPP4 (0.65) DPP4DPP7DPP8KCNH2
SCHEMBL4867798 0.72 DPP4 (0.61) DPP4DPP7LMNAMAPT
Hydrochloric Acid SCHEMBL1033064 0.70 RAB9A (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA

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 5 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-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
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
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 3/4885RAB9A 4544/4885

“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.