SCHEMBL4665018

SCHEMBL4665018

COCNC(=O)CC(C)(NC(=O)OC(C)(C)C)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
SCN9A Q15858 1/20 0.36
GUCY1B2 O75343 2/20 0.35
GUCY1A2 P33402 2/20 0.35
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 0.35
DRD2 P14416 3/20 0.34
SSTR4 P31391 1/20 0.34
AKT1 P31749 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SYK P43405 1/20 0.33
KDM4A O75164 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
IDO1 P14902 1/20 0.33
KLK5 Q9Y337 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18683051 0.84 LMNA (0.40) LMNAPOLBCTSSCTSKSCN9A
SCHEMBL21677304 0.84 LMNA (0.40) LMNAPOLBCTSSCTSKSCN9A
SCHEMBL4665019 0.79 AKT1 (0.39) LMNAPOLBCTSSCTSKSCN9A
SCHEMBL21677273 0.79 NLRP3 (0.42) LMNAPOLBCTSSCTSKGUCY1B2
SCHEMBL203670 0.71 SYK (0.44) CTSSSYKIDO1KLK5MEN1
SCHEMBL18683500 0.71 LMNA (0.39) LMNAPOLBCTSSCTSKSCN9A
SCHEMBL18683050 0.70 LMNA (0.38) LMNAPOLBCTSSCTSKSCN9A
SCHEMBL21677169 0.69 CTSS (0.39) LMNAPOLBCTSSCTSKSCN9A
SCHEMBL18683318 0.69 CTSS (0.39) LMNAPOLBCTSSCTSKSCN9A
SCHEMBL18683370 0.68 CTSS (0.40) LMNAPOLBCTSSCTSKSCN9A

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-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US 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 LMNA 2300/4885POLB 3815/4885CTSS 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.