SCHEMBL4716867

SCHEMBL4716867

CC(C)(C)OC(=O)N1CCc2nc(C(F)(F)F)n(Cc3ccc(F)cc3)c2C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.58
DPP7 Q9UHL4 6/20 0.58
DPP8 Q6V1X1 5/20 0.49
DPP9 Q86TI2 2/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDM1A O60341 1/20 0.42
KCNK3 O14649 2/20 0.39
HPGDS O60760 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
MAPT P10636 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL4762942 0.92 DPP4 (0.58) DPP4DPP7DPP8DPP9HDAC1
SCHEMBL4716733 0.78 DPP4 (0.47) DPP4DPP7DPP8DPP9HPGDS
SCHEMBL5643064 0.77 DPP4 (0.63) DPP4DPP7DPP8DPP9KCNK3
SCHEMBL17317679 0.77 KCNK3 (0.49) DPP4DPP7DPP8DPP9HDAC1
SCHEMBL14047929 0.76 PARP1 (0.44) HDAC1HDAC6KDM1AMAPT
SCHEMBL17317851 0.75 KCNK3 (0.48) HDAC1HDAC6KDM1AKCNK3GRM5
SCHEMBL30476383 0.75 P2RX7 (0.44) DPP4DPP7DPP8HDAC1HDAC6
SCHEMBL20818259 0.75 P2RX7 (0.44) DPP4DPP7DPP8HDAC1HDAC6
SCHEMBL13250059 0.75 PARP1 (0.44) HDAC1HDAC6KDM1A
SCHEMBL17328049 0.75 HPGDS (0.47) HDAC1HDAC6KDM1AKCNK3HPGDS

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 1/4885DPP7 3/4885DPP8 5/4885

“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.