SCHEMBL6300489

SCHEMBL6300489

C[C@H](N)C(=O)NC1CN(C)c2ccccc2N(C)C1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.52
RIPK1 Q13546 1/20 0.50
XIAP P98170 13/20 0.48
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
EGFR P00533 1/20 0.42
CCKBR P32239 1/20 0.41

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
SCHEMBL4994039 0.85 XIAP (0.42) SCN9ARIPK1XIAPCCKBR
SCHEMBL15956793 0.82 RIPK1 (0.57) SCN9ARIPK1XIAPEGFRCCKBR
SCHEMBL6912415 0.81 PSEN1 (0.56) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4411847 0.80 PSEN1 (0.55) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL6308073 0.79 SCN9A (0.69) SCN9AXIAPCCKBR
SCHEMBL4436003 0.77 PSEN1 (0.63) SCN9ARIPK1XIAPPSEN1PSEN2
SCHEMBL6308109 0.76 XIAP (0.43) SCN9ARIPK1XIAPPSEN1PSEN2
SCHEMBL6302235 0.76 XIAP (0.46) RIPK1XIAPPSEN1PSEN2APH1B
SCHEMBL12345861 0.76 SCN9A (0.64) SCN9ARIPK1CCKBR
SCHEMBL14019266 0.76 SCN9A (0.64) SCN9ARIPK1CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958330-B1 Polycyclic α-amino-ε-caprolactams and related compounds ELAN PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed
US-6838455-B2 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-01-04 US disclosed
EP-1093372-A4 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2004-09-29 EP disclosed
US-6696438-B2 AMYLOID PRECURSOR PROTEIN ANTAGONISTS, 3-((N'-(3-PYRIDINOYL)-L -ALANINYL)-AMINO-3-METHYL-4,5,6,7-TETRAHYDRO-2H-3-BENZAZEPIN-2-ONE, USED FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030162768-A1 Cyclic amino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds AUDIA JAMES E (US) 2003-08-28 US disclosed
US-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds AUDIA JAMES E (US) 2003-08-07 US disclosed
US-6552013-B1 For therapy of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
US-6528505-B1 Treating Alzheimer's disease;5-(S)-(N'-(L-prolyl)-L-alaninyl)-amino-7-methyl-5,7-di hydro-6H- dibenz(b,d)azepin-one ELAN PHARMACEUTICALS, INC. 2003-03-04 US disclosed
EP-1093372-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2001-04-25 EP disclosed
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999066934-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 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-20030162768-A1 Cyclic amino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, IAPP, BACE1 SCN9A 2558/4885RIPK1 4376/4885XIAP 513/4885
US-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, IAPP, BACE1 SCN9A 3125/4885RIPK1 4751/4885XIAP 1372/4885

“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.