SCHEMBL5036540

SCHEMBL5036540

O=C1NCCCN(C(=O)O)C1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
DPP8 Q6V1X1 3/20 0.45
DPP7 Q9UHL4 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HTR2C P28335 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
EPHX2 P34913 2/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
SCN9A Q15858 1/20 0.37
ACHE P22303 1/20 0.37
PREP P48147 1/20 0.37
LIPE Q05469 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
SCHEMBL14278852 0.78 DPP4 (0.77) DPP4DPP8DPP7
SCHEMBL5132150 0.78 DPP4 (0.77) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL5037269 0.77 DPP4 (0.76) DPP4DPP8DPP7
SCHEMBL5038156 0.74 SCN9A (0.40) DPP4DPP8DPP7HRH3PSEN1
SCHEMBL22127495 0.74 ALDH1A1 (0.51) DPP4DPP8DPP7LMNA
SCHEMBL13665314 0.72 DPP4 (0.50) DPP4DPP8DPP7PSEN1PSEN2
Hydrochloric Acid SCHEMBL5038229 0.72 HTR2C (0.46) HRH3HTR2CPSEN1PSEN2APH1B
SCHEMBL3059295 0.71 PSEN1 (0.44) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL27610454 0.69 CCR5 (0.54) EPHX2
SCHEMBL582096 0.68 NOTUM (0.46) HRH3HTR2CEPHX2LIPE

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
EP-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 EP disclosed
US-7101871-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-12-16 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-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 4/4885DPP7 3/4885

“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.