SCHEMBL4421100

SCHEMBL4421100

CCC(CC)COC(=O)C(C)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
APEX1 P27695 1/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 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
SCHEMBL4421102 1.00 CYP3A4 (0.46) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4418506 0.87 MMP8 (0.45) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4418504 0.87 MMP8 (0.45) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL733757 0.86 ALDH1A1 (0.51) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4415360 0.86 ALDH1A1 (0.51) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4418421 0.83 CYP3A4 (0.48) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4418422 0.83 CYP3A4 (0.48) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4423093 0.81 HPGD (0.52) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4423094 0.81 HPGD (0.52) CYP3A4LMNAHTTMMP8MMP14
SCHEMBL4417389 0.81 MMP8 (0.50) CYP3A4LMNAHTTMMP8MMP14

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001508408-A 2001-06-26 JP claimed
US-5965614-A A PEPTIDE BLOCKING AGENT FOR TREATING ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 1999-10-12 US claimed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP claimed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO 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-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-20050203080-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 (US) 2005-09-15 US disclosed
US-20020045747-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 (US) 2002-04-18 US disclosed
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP disclosed
EP-0951466-A2 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 Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
US-5965614-A A PEPTIDE BLOCKING AGENT FOR TREATING ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 1999-10-12 US disclosed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS 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 (6 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-20050203080-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 CYP3A4 3043/4885LMNA 1272/4885HTT 91/4885
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 CYP3A4 3803/4885LMNA 2174/4885HTT 49/4885
US-20020045747-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 CYP3A4 3187/4885LMNA 1339/4885HTT 94/4885
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 CYP3A4 3043/4885LMNA 1272/4885HTT 91/4885
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 CYP3A4 3043/4885LMNA 1272/4885HTT 91/4885
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 CYP3A4 3043/4885LMNA 1272/4885HTT 91/4885

“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.