SCHEMBL3760901

SCHEMBL3760901

C1=CN(c2ccccc2)c2ccccc2C=N1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 1/20 0.31
GAA P10253 1/20 0.31
CES1 P23141 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX4 Q99571 1/20 0.30

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
SCHEMBL5808286 0.88 MAPT (0.30) NPSR1
SCHEMBL4993120 0.77 CES2 (0.31) CES2ALDH1A1BCHEGAACES1
SCHEMBL5806146 0.76 SMN1; SMN2 (0.34) ALDH1A1GAA
SCHEMBL27489282 0.73
SCHEMBL4908709 0.73 P2RX4 (0.31) CES1P2RX4
SCHEMBL11667029 0.73 LMNA (0.33) P2RX4
SCHEMBL3635590 0.71 P2RX4 (0.39) ALDH1A1NPSR1P2RX4
SCHEMBL10533923 0.70 P2RX4 (0.33) CES2ALDH1A1BCHEGAACES1
SCHEMBL3523519 0.70 LMNA (0.39) ALDH1A1GAACES1P2RX4
SCHEMBL15840870 0.70 GAA (0.41) CES2ALDH1A1BCHEGAACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO claimed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
WO-1999050270-A1 PHOSPHODIESTERASE IV-INHIBITING DIAZEPINOINDOLES PARKE-DAVIS (FR) 1999-10-07 WO claimed
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 WO 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
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO 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-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-6544978-B2 Treating Alzheimer's disease both prophylactically and therapeutically ATHENA NEUROSCIENCES, INC. 2003-04-08 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-6365585-B1 USED AS ANTI-INFLAMMATORIES, ANTI-ALLERGICS, BRONCHODILATORS OR ANTI-ASTHMATICS AND ARE DEVOID OF DIGESTIVE OR CARDIAC SIDE-EFFECTS WARNER-LAMBERT COMPANY 2002-04-02 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
WO-1999050270-A1 PHOSPHODIESTERASE IV-INHIBITING DIAZEPINOINDOLES PARKE-DAVIS (FR) 1999-10-07 WO disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 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 (3 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-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 CES2 2192/4885ALDH1A1 2775/4885BCHE 5/4885
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 CES2 319/4885ALDH1A1 3897/4885BCHE 8/4885
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 CES2 319/4885ALDH1A1 3897/4885BCHE 8/4885

“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.