SCHEMBL4982821

SCHEMBL4982821

O=C1CN=Cc2ccccc2N1CC1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ KDM4E B2RXH2 5/20 0.47
▸ TSHR P16473 3/20 0.47
▸ ALDH1A1 P00352 10/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL4991055 0.80 OPRL1 (0.43) KDM4EALDH1A1HSD17B10
SCHEMBL7242491 0.78 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19KDM4ETSHR
SCHEMBL22085 0.76 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19KDM4ETSHR
SCHEMBL6299940 0.74 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19KDM4ETSHR
SCHEMBL4987548 0.73 MAPT (0.42) KDM4ETSHRALDH1A1KMT2ACASP1
SCHEMBL3660587 0.73 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19KDM4ETSHR
SCHEMBL4994852 0.72 ACHE (0.40) TSHRHPGDMAPTHTT
SCHEMBL4995923 0.71 POLB (0.51) TSHRALDH1A1KMT2AGAAPOLB
SCHEMBL2308910 0.70 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19KDM4ETSHR
SCHEMBL2355777 0.70 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6774125-B2 TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-08-10 — — US disclosed
US-6696438-B2 AMYLOID PRECURSOR PROTEIN ANTAGONISTS, 3-((N'-(3-PYRIDINOYL)-L -ALANINYL)-AMINO-3-METHYL-4,5,6,7-TETRAHYDRO-2H-3-BENZAZEPIN-2-ONE, USED FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-02-24 — — US disclosed
US-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 — — US disclosed
US-6632811-B2 Administering cycloalkyl, lactam, lactone compounds for for inhibiting beta -amyloid peptide release and/or its synthesis in a cell ATHENA NEUROSCIENCES, INC. 2003-10-14 — — US disclosed
US-6559141-B2 Inhibit beta-amyloid peptide release and/or synthesis, use in treating Alzheimer's disease; for example, 5-(N'-(phenylacetyl)-L-alpha-(2-thienyl)glycinyl)-amino-7-methyl-5,7-dihydro-6H-dibenz(b, d)azepin-6-one ATHENA NEUROSCIENCES, INC. 2003-05-06 — — US disclosed
US-6552013-B1 For therapy of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-04-22 — — US disclosed
US-6541466-B2 Such as 1-(N'-(3,5-difluorophenylacetyl)-L-alaninyl)-aminodibenzosuberane; for treatment of Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-04-01 — — US disclosed
US-6509331-B1 Bicyclic amides such as 5-('-(2S-hydroxy-3-methylbutyrl)-2S-aminopropyl)amino-7-methyl-5,7-dihydro -6H-dibenz(b,d)azepin-6-one ELAN PHARMACEUTICALS, INC. 2003-01-21 — — US 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 CYP1A2 3261/4885CYP2C9 1804/4885CYP2C19 1419/4885
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 CYP1A2 3183/4885CYP2C9 3286/4885CYP2C19 2058/4885
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 CYP1A2 3261/4885CYP2C9 1804/4885CYP2C19 1419/4885
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 CYP1A2 3261/4885CYP2C9 1804/4885CYP2C19 1419/4885
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 CYP1A2 3261/4885CYP2C9 1804/4885CYP2C19 1419/4885
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 CYP1A2 3261/4885CYP2C9 1804/4885CYP2C19 1419/4885

“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.

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