SCHEMBL4424339

SCHEMBL4424339

CN1C(=O)C(N)N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.66
GABRG2 P18507 3/20 0.66
GABRB3 P28472 3/20 0.66
GABRA5 P31644 3/20 0.66
GABRA3 P34903 3/20 0.66
GABRA2 P47869 2/20 0.66
GABRB2 P47870 2/20 0.66
GABRP O00591 1/20 0.66
GABRD O14764 1/20 0.66
GABRB1 P18505 1/20 0.66
GABRA4 P48169 1/20 0.66
GABRE P78334 1/20 0.66
GABRA6 Q16445 1/20 0.66
GABRG1 Q8N1C3 1/20 0.66
GABRG3 Q99928 1/20 0.66
GABRQ Q9UN88 1/20 0.66
LMNA P02545 3/20 0.62
CCKBR P32239 4/20 0.52
OPRK1 P41145 2/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL7091758 1.00 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2929249 0.87 LMNA (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3783696 0.87 LMNA (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7089670 0.87 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7089667 0.87 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11389231 0.86 LMNA (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29394022 0.86 OPRK1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8722163 0.84 LMNA (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4819989 0.81 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3287864 0.81 OPRK1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3

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 73 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-20050267150-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 THOMPSON RICHARD C 2005-12-01 US disclosed
US-6951854-B1 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) 2005-10-04 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
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
US-5597818-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-28 US disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 US disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 US disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 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-20050267150-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 GABRA1 1821/4885GABRG2 1937/4885GABRB3 1195/4885
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 GABRA1 1760/4885GABRG2 1840/4885GABRB3 1164/4885
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 GABRA1 2075/4885GABRG2 2440/4885GABRB3 1454/4885
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 GABRA1 1760/4885GABRG2 1840/4885GABRB3 1164/4885
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 GABRA1 1760/4885GABRG2 1840/4885GABRB3 1164/4885
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 GABRA1 1760/4885GABRG2 1840/4885GABRB3 1164/4885

“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.