SCHEMBL4424434

SCHEMBL4424434

CC(C)COC(=O)C(C)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.44
PSEN1 P49768 14/20 0.42
PSEN2 P49810 14/20 0.42
APH1B Q8WW43 14/20 0.42
NCSTN Q92542 14/20 0.42
APH1A Q96BI3 14/20 0.42
PSENEN Q9NZ42 14/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4424438 1.00 SMYD3 (0.44) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL4417233 0.87 SMYD3 (0.47) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL4417236 0.87 SMYD3 (0.47) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL4111216 0.87 TSHR (0.50) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL3343337 0.87 TSHR (0.50) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL7157324 0.84 MME (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4417385 0.83 ALDH1A1 (0.40) HTTKMT2ATDP1ALDH1A1
SCHEMBL6136789 0.83 ALDH1A1 (0.40) HTTKMT2ATDP1ALDH1A1
SCHEMBL5967369 0.82 PSEN1 (0.47) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL3095815 0.81 KDM4E (0.50) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed
US-20030191119-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2003-10-09 US claimed
US-20020137743-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-09-26 US claimed
US-6333351-B1 ENZYME INHIBITORS WITH CARRIERS ATHENA NEUROSCIENCES, INC. 2001-12-25 US claimed
EP-0951466-B1 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 ELAN PHARM INC (US) 2009-01-21 EP disclosed
US-7390801-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 ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 US disclosed
US-7153847-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 ATHENA NEUROSCIENCES, INC. (US) 2006-12-26 US disclosed
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060079499-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 WU JING 2006-04-13 US disclosed
US-20050272666-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 WU JING 2005-12-08 US disclosed
US-20050215541-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 ATHENA NEUROSCIENCES, INC. AND ELI LILLY & COMPANY 2005-09-29 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-6153652-A N-(aryl/heteroaryl/alkylacetyl) amino acid amides, 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) 2000-11-28 US disclosed
US-6117901-A N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for use ATHENA NEUROSCIENCES, INC. (US) 2000-09-12 US disclosed
EP-0951464-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
EP-0946499-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, 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) 1999-10-06 EP disclosed
WO-1998022430-A9 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS 1998-08-20 WO disclosed
WO-1998022430-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1998022433-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, 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) 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 (7 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-20020137743-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP SMYD3 4554/4885PSEN1 7/4885PSEN2 6/4885
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 SMYD3 2187/4885PSEN1 3/4885PSEN2 4/4885
US-20050272666-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 SMYD3 3892/4885PSEN1 6/4885PSEN2 9/4885
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP SMYD3 4183/4885PSEN1 5/4885PSEN2 6/4885
US-20060079499-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 SMYD3 3892/4885PSEN1 6/4885PSEN2 9/4885
US-20050215541-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 SMYD3 3892/4885PSEN1 6/4885PSEN2 9/4885
US-20030191119-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP SMYD3 4554/4885PSEN1 7/4885PSEN2 6/4885

“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.