SCHEMBL6301491

SCHEMBL6301491

CCC[C@H](N)C(=O)NC1C(=O)N(C)c2ccccc2N(c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.50
XIAP P98170 5/20 0.49
NOTCH1 P46531 2/20 0.46
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
RBPJ Q06330 1/20 0.46
KCNH2 Q12809 1/20 0.45
NOTCH3 Q9UM47 1/20 0.44
CCKAR P32238 2/20 0.44

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
SCHEMBL6306499 0.92 PSEN1 (0.49) CCKBRXIAPNOTCH1PSEN1PSEN2
SCHEMBL9793668 0.88 CCKBR (0.58) CCKBRXIAPPSEN1PSEN2APH1B
SCHEMBL4417158 0.86 CCKBR (0.50) CCKBRXIAPPSEN1PSEN2APH1B
SCHEMBL7847907 0.80 CCKBR (0.54) CCKBRXIAPCCKAR
Hydrochloric Acid SCHEMBL4421057 0.79 CCKBR (0.53) CCKBRXIAPCCKAR
SCHEMBL6912415 0.76 PSEN1 (0.56) CCKBRXIAPPSEN1PSEN2APH1B
SCHEMBL6306060 0.75 CCKBR (0.44) CCKBRXIAPNOTCH1PSEN1PSEN2
Hydrochloric Acid SCHEMBL4411847 0.75 PSEN1 (0.55) CCKBRXIAPPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL6312492 0.74 CCKBR (0.43) CCKBRXIAPNOTCH1PSEN1PSEN2
SCHEMBL9793681 0.73 CCKBR (0.43) CCKBRXIAPPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCKBR 147/4885XIAP 513/4885NOTCH1 737/4885
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 CCKBR 537/4885XIAP 1372/4885NOTCH1 1371/4885

“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.