SCHEMBL5043388

SCHEMBL5043388

CC(C)(C)OC(=O)N1CCCN(COCc2ccccc2)C(=O)C1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.43
DAGLA Q9Y4D2 1/20 0.43
P2RX7 Q99572 1/20 0.42
SCN9A Q15858 3/20 0.39
KCNH2 Q12809 2/20 0.39
SCN5A Q14524 2/20 0.39
LIPE Q05469 1/20 0.39
PARP1 P09874 1/20 0.38
KLK7 P49862 2/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
GHSR Q92847 2/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
YAP1 P46937 2/20 0.36
TACR1 P25103 1/20 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
SCHEMBL5038156 0.90 SCN9A (0.40) SCN9ALIPE
SCHEMBL11082017 0.75 YAP1 (0.47) PARP1PLA2G10PLA2G5GHSRNR1H2
SCHEMBL11080546 0.73 YAP1 (0.49) PARP1PLA2G10PLA2G5GHSRNR1H2
SCHEMBL11084132 0.73 ITGB3 (0.52) PARP1KLK7PLA2G10PLA2G5NR1H2
SCHEMBL25698172 0.72 KLK7 (0.48) PARP1KLK7PLA2G10PLA2G5NR1H2
SCHEMBL6936067 0.71 PLA2G10 (0.54) PARP1KLK7PLA2G10PLA2G5NR1H2
SCHEMBL973127 0.71 KLK7 (0.49) PARP1KLK7PLA2G10PLA2G5NR1H2
SCHEMBL11077466 0.70 PLA2G10 (0.52) KLK7PLA2G10PLA2G5NR1H2NR1H3
SCHEMBL29229186 0.70 KLK7 (0.46) ABHD6DAGLAPARP1KLK7GHSR
SCHEMBL5037174 0.70 TACR1 (0.42) KLK7TACR1

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 ABHD6 1149/4885DAGLA 2483/4885P2RX7 2287/4885

“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.