SCHEMBL7477766

SCHEMBL7477766

O=C1CN=C(c2ccccn2)c2ccccc2N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.72
GABRA1 P14867 8/20 0.64
GABRA5 P31644 8/20 0.64
GABRA3 P34903 8/20 0.64
GABRA2 P47869 7/20 0.64
GABRB2 P47870 6/20 0.64
GABRG2 P18507 6/20 0.64
GABRB3 P28472 6/20 0.64
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48
GABRA6 Q16445 3/20 0.48
GABRG1 Q8N1C3 3/20 0.48
GABRG3 Q99928 3/20 0.48
GABRQ Q9UN88 3/20 0.48
LMNA P02545 2/20 0.46
PDE4D Q08499 2/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL14215423 0.84 ADRA1A (0.74) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL29382152 0.84 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL7951942 0.84 ADRA1A (0.74) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL29521776 0.84 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL7377690 0.84 ADRA1A (0.74) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL43933 0.84 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL29366892 0.84 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL11837680 0.82 ADRA1A (0.51) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL11603293 0.81 ADRA1A (0.69) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL13501729 0.81 GABRA1 (0.58) ADRA1AGABRA1GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1399634-A Hydroxyalkanoyl aminolactams and related structure as inhibitors of A beta protein production BRISTOL MYERS SQUIBB PHARMA IN (US) 2003-02-26 CN claimed
US-20020137738-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) 2002-09-26 US claimed
CN-1242007-A Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds ELAND PHARMACEUTICAL CORP (US) 2000-01-19 CN claimed
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 claimed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO claimed
EP-3180326-B1 BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS TRIO MEDICINES LTD (GB) 2019-10-23 EP disclosed
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-05-08 US disclosed
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-12-27 US disclosed
US-7235656-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-06-26 US disclosed
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-08 US disclosed
CN-1399634-A Hydroxyalkanoyl aminolactams and related structure as inhibitors of A beta protein production BRISTOL MYERS SQUIBB PHARMA IN (US) 2003-02-26 CN disclosed
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
EP-0628033-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-12-14 EP 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 (4 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-20020137738-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 ADRA1A 3037/4885GABRA1 1823/4885GABRA5 1660/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 ADRA1A 145/4885GABRA1 3/4885GABRA5 6/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 ADRA1A 145/4885GABRA1 3/4885GABRA5 6/4885
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders GABRA3, GABRA6, GABRA4 ADRA1A 528/4885GABRA1 5/4885GABRA5 6/4885

“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.