SCHEMBL4663388

SCHEMBL4663388

CC(C)(C)OC(=O)N[C@@H](CCN1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.67
CTSK P43235 2/20 0.45
CTSS P25774 1/20 0.45
HTR1A P08908 2/20 0.44
SCN9A Q15858 5/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL4663297 0.89 DPP4 (0.52) DPP4CTSKCTSSSCN9A
SCHEMBL14282770 0.86 DPP4 (0.68) DPP4CTSKCTSS
SCHEMBL4957611 0.86 DPP4 (0.68) DPP4CTSKCTSS
SCHEMBL6444466 0.86 DPP4 (0.48) DPP4CTSKCTSSSCN9A
SCHEMBL6447159 0.85 DPP4 (0.54) DPP4CTSKCTSSSCN9ACTSL
SCHEMBL6442890 0.85 DPP4 (0.47) DPP4CTSKCTSSSCN9A
SCHEMBL14282796 0.82 DPP4 (0.48) DPP4CTSKCTSSSCN9A
SCHEMBL4666705 0.81 DPP4 (1.00) DPP4CTSKCTSLCTSB
SCHEMBL4770561 0.80 ALDH1A1 (0.47) DPP4CTSKCTSSSCN9A
SCHEMBL14421639 0.79 DPP4 (0.67) DPP4

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
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
EP-1604662-A1 1-[(3R)-Amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP 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-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 DPP4 1/4885CTSK 786/4885CTSS 1262/4885

“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.