SCHEMBL5646141

SCHEMBL5646141

Cn1c(C(F)(F)F)nc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
MAPT P10636 2/20 0.41
ESR2 Q92731 1/20 0.41
ADORA1 P30542 2/20 0.40
NR1H2 P55055 1/20 0.40
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CNR2 P34972 2/20 0.39
DPP9 Q86TI2 1/20 0.39
CYP8B1 Q9UNU6 1/20 0.38
P2RX7 Q99572 3/20 0.38
GRAMD1A Q96CP6 1/20 0.38
HPGDS O60760 1/20 0.38
HDAC4 P56524 1/20 0.36
P2RX3 P56373 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
SCHEMBL4716733 0.90 DPP4 (0.47) DPP4DPP8DPP7MAPTESR2
SCHEMBL23632994 0.83 MAPT (0.43) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL28881468 0.83 MAPT (0.46) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL20323953 0.82 PARP1 (0.41) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL17949105 0.82 MAPT (0.42) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL29191201 0.81 ADORA1 (0.46) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL22675497 0.80 ADORA1 (0.46) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL19713029 0.79 NR1H2 (0.44) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL30522697 0.78 MAPT (0.40) MAPTESR2ADORA1NR1H2PARP1
SCHEMBL4762942 0.78 DPP4 (0.58) DPP4DPP8DPP7CNR2DPP9

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-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 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.