SCHEMBL6380873

SCHEMBL6380873

C[C@H](NC(=O)C(OC(=O)CN)c1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.68
PSEN2 P49810 2/20 0.68
APH1B Q8WW43 2/20 0.68
NCSTN Q92542 2/20 0.68
APH1A Q96BI3 2/20 0.68
PSENEN Q9NZ42 2/20 0.68
GSAP A4D1B5 1/20 0.68
NOTCH1 P46531 5/20 0.59
NOTCH3 Q9UM47 5/20 0.59
CCKBR P32239 4/20 0.57
KCNH2 Q12809 1/20 0.54
SCN9A Q15858 4/20 0.53
NOTCH2 Q04721 1/20 0.51
NOTCH4 Q99466 1/20 0.51

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
SCHEMBL6301705 0.89 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25314617 0.85 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4413298 0.85 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4414764 0.85 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL33527945 0.85 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16417117 0.85 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29404290 0.85 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6308359 0.82 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4987740 0.82 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12462877 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP 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 PSEN1 6/4885PSEN2 9/4885APH1B 4/4885
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 PSEN1 6/4885PSEN2 9/4885APH1B 4/4885
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 PSEN1 6/4885PSEN2 9/4885APH1B 4/4885
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 PSEN1 6/4885PSEN2 9/4885APH1B 4/4885

“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.