SCHEMBL4716733

SCHEMBL4716733

Cn1c(C(F)(F)F)nc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.47
DPP8 Q6V1X1 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
DPP9 Q86TI2 2/20 0.47
MAPT P10636 3/20 0.43
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
ADORA1 P30542 2/20 0.38
GRAMD1A Q96CP6 1/20 0.38
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
HDAC4 P56524 1/20 0.36
CYP8B1 Q9UNU6 1/20 0.36
HPGDS O60760 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
PDK2 Q15119 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
SCHEMBL5646141 0.90 DPP4 (0.47) DPP4DPP8DPP7DPP9MAPT
SCHEMBL5646527 0.83 DPP4 (0.51) DPP4DPP8DPP7DPP9PDK2
SCHEMBL27036786 0.79 MAPT (0.44) MAPTESR2NR1H2ADORA1GRAMD1A
SCHEMBL4716867 0.78 DPP4 (0.58) DPP4DPP8DPP7DPP9MAPT
SCHEMBL4793227 0.73 MAPT (0.44) MAPTESR2NR1H2ADORA1GRAMD1A
SCHEMBL4792922 0.73 MAPT (0.44) MAPTESR2NR1H2ADORA1GRAMD1A
SCHEMBL23850374 0.73 CNR1 (0.45) MAPTESR2NR1H2GRAMD1APARP1
SCHEMBL30213179 0.73 CNR1 (0.45) MAPTESR2NR1H2GRAMD1APARP1
SCHEMBL28881468 0.73 MAPT (0.46) MAPTESR2NR1H2ADORA1GRAMD1A
SCHEMBL23632994 0.73 MAPT (0.43) MAPTESR2NR1H2ADORA1GRAMD1A

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
EP-1589969-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-08-13 EP disclosed
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
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 WO 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.