SCHEMBL4421101

SCHEMBL4421101

COc1cc(N[C@@H](C)C(=O)O)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL4421097 1.00 KMT2A (0.56) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11701069 0.85 KMT2A (0.56) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL26616883 0.83 MTNR1B (0.57) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL6274304 0.83 MTNR1B (0.57) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL11197901 0.82 KMT2A (0.53) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11056066 0.82 KMT2A (0.53) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5955057 0.81 ALDH1A1 (0.54) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5955053 0.81 ALDH1A1 (0.54) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
1,3,5-Trimethoxybenzene SCHEMBL27988149 0.81 KMT2A (0.50) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL2674642 0.79 MEN1 (0.53) KMT2AKDM4ESMN1; SMN2HTTMEN1

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
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-20050182046-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) 2005-08-18 US disclosed
US-6849650-B2 Heterocyclic 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) 2005-02-01 US disclosed
US-6096782-A N-(aryl/heteroaryl) amino acid derivatives 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) 2000-08-01 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
EP-0942923-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, 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) 1999-09-22 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
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, 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 (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 KMT2A 4749/4885KDM4E 4626/4885NPC1 710/4885
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 KMT2A 3421/4885KDM4E 1885/4885NPC1 242/4885
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 KMT2A 4749/4885KDM4E 4626/4885NPC1 710/4885
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 KMT2A 4749/4885KDM4E 4626/4885NPC1 710/4885
US-20050182046-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 KMT2A 4749/4885KDM4E 4626/4885NPC1 710/4885
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 KMT2A 4749/4885KDM4E 4626/4885NPC1 710/4885

“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.