SCHEMBL6301977

SCHEMBL6301977

C[C@H](N)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.83
KCNH2 Q12809 1/20 0.76
NOTCH1 P46531 2/20 0.66
PSEN1 P49768 1/20 0.66
PSEN2 P49810 1/20 0.66
RBPJ Q06330 1/20 0.66
APH1B Q8WW43 1/20 0.66
NCSTN Q92542 1/20 0.66
APH1A Q96BI3 1/20 0.66
PSENEN Q9NZ42 1/20 0.66
NOTCH3 Q9UM47 1/20 0.65
CCKAR P32238 1/20 0.64

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
SCHEMBL4414763 1.00 CCKBR (0.83) CCKBRKCNH2NOTCH1PSEN1PSEN2
SCHEMBL7067691 1.00 CCKBR (0.83) CCKBRKCNH2NOTCH1PSEN1PSEN2
SCHEMBL7066290 0.92 CCKBR (0.70) CCKBRKCNH2NOTCH1PSEN1PSEN2
SCHEMBL4411431 0.92 CCKBR (0.70) CCKBRKCNH2NOTCH1PSEN1PSEN2
SCHEMBL4412856 0.91 CCKBR (0.80) CCKBRKCNH2NOTCH1PSEN1PSEN2
SCHEMBL6375205 0.91 CCKBR (0.80) CCKBRKCNH2NOTCH1PSEN1PSEN2
SCHEMBL9868120 0.91 CCKBR (1.00) CCKBRKCNH2CCKAR
SCHEMBL9868116 0.91 CCKBR (1.00) CCKBRKCNH2CCKAR
SCHEMBL4422204 0.89 CCKBR (0.67) CCKBRKCNH2NOTCH1PSEN1PSEN2
SCHEMBL4412275 0.88 CCKBR (0.75) CCKBRKCNH2NOTCH1NOTCH3CCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C 2005-12-01 US disclosed
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-6906056-B2 Cycloalkyl, lactam, lactone and related 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) 2005-06-14 US disclosed
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2004-06-03 US disclosed
US-6569851-B1 Treating Alzheimer's disease ELAN PHARMACEUTIALS, INC. 2003-05-27 US disclosed
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-2000047576-A1 CINNAMIDE DERIVATIVES AS OREXIN-1 RECEPTORS ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed
WO-1999067221-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 (4 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-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 218/4885KCNH2 4568/4885NOTCH1 229/4885
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 218/4885KCNH2 4568/4885NOTCH1 229/4885
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 254/4885KCNH2 4610/4885NOTCH1 244/4885
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 218/4885KCNH2 4568/4885NOTCH1 229/4885

“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.