SCHEMBL4563293

SCHEMBL4563293

CC(C)COC(=O)C(C)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.43
SCN9A Q15858 3/20 0.41
TRPA1 O75762 3/20 0.40
LMNA P02545 1/20 0.40
ACP1 P24666 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
TACR1 P25103 2/20 0.39
P2RX1 P51575 2/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL4563294 1.00 ALDH1A1 (0.45) ALDH1A1MAPTSCN9ATRPA1LMNA
SCHEMBL4420720 0.80 SMN1; SMN2 (0.38) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4420725 0.80 SMN1; SMN2 (0.38) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6706715 0.78 KDM4E (0.52) ALDH1A1MAPTTRPA1LMNAACP1
SCHEMBL6706711 0.78 KDM4E (0.52) ALDH1A1MAPTTRPA1LMNAACP1
SCHEMBL4424646 0.77 TSHR (0.43) ALDH1A1MAPTLMNACACNA1FCACNA1D
SCHEMBL4424648 0.77 TSHR (0.43) ALDH1A1MAPTLMNACACNA1FCACNA1D
SCHEMBL4420735 0.76 KMT2A (0.49) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4420737 0.76 KMT2A (0.49) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1832140 0.75 HDAC3 (0.48) ALDH1A1MAPTTRPA1LMNAP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399628-B1 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-06-04 US claimed
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-20020055500-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-05-09 US disclosed
US-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-05-02 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-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-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 (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-20020055500-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 4216/4885MAPT 45/4885SCN9A 2578/4885
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 ALDH1A1 2775/4885MAPT 20/4885SCN9A 1563/4885
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 ALDH1A1 3990/4885MAPT 38/4885SCN9A 2478/4885
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 ALDH1A1 3897/4885MAPT 34/4885SCN9A 2062/4885
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 ALDH1A1 3897/4885MAPT 34/4885SCN9A 2062/4885
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 ALDH1A1 3897/4885MAPT 34/4885SCN9A 2062/4885
US-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 4216/4885MAPT 45/4885SCN9A 2578/4885

“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.