SCHEMBL4594560

SCHEMBL4594560

CCCC[C@@H](C(N)=O)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.52
CA1 P00915 4/20 0.52
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
MAPK1 P28482 1/20 0.39
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC15A1 P46059 1/20 0.36
FDPS P14324 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL4595724 1.00 CA2 (0.52) CA2CA1SLC1A2SLC1A1SLC1A3
SCHEMBL4594802 1.00 CA2 (0.52) CA2CA1SLC1A2SLC1A1SLC1A3
SCHEMBL12285998 0.94 CA1 (0.45) CA2CA1SLC1A2SLC1A1EPHX1
SCHEMBL25389975 0.92 GRIK1 (0.44) CA2CA1SLC1A2SLC1A1EPHX1
SCHEMBL28458244 0.92 GRIK1 (0.44) CA2CA1SLC1A2SLC1A1EPHX1
SCHEMBL28958158 0.92 GRIK1 (0.44) CA2CA1SLC1A2SLC1A1EPHX1
Hydrochloric Acid SCHEMBL11416121 0.90 GRIK1 (0.43) CA2CA1SLC1A2SLC1A1EPHX1
SCHEMBL2127724 0.86 HDAC7 (0.43) CA2CA1SLC1A2SLC1A1SLC1A3
SCHEMBL13884916 0.86 HDAC7 (0.43) CA2CA1SLC1A2SLC1A1SLC1A3
SCHEMBL8183821 0.83 CPB2 (0.36) CA2CA1DPP7CHRNB2CHRNB4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP claimed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed
CN-109641814-B Non-corrosive nitration inhibitor polar solvent preparation 美国陶氏益农公司 2021-12-31 CN disclosed
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP disclosed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US disclosed
US-6861558-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2005-03-01 US disclosed
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis AUDIA JAMES E (US) 2003-12-11 US disclosed
US-6476263-B1 Compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 US disclosed
US-6211235-B1 ALZHEIMERS DISEASE ELAN PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6207710-B1 FOR THERAPY OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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 (2 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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP CA2 1983/4885CA1 208/4885SLC1A2 496/4885
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP CA2 1983/4885CA1 208/4885SLC1A2 496/4885

“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.