SCHEMBL638718

SCHEMBL638718

C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 1.00
GABRB3 P28472 18/20 1.00
GABRA5 P31644 14/20 1.00
GABRA3 P34903 13/20 1.00
GABRA2 P47869 8/20 1.00
GABRA1 P14867 8/20 1.00
GABRA6 Q16445 3/20 1.00
GABRA4 P48169 3/20 1.00
GABRB2 P47870 3/20 0.67

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
SCHEMBL7725966 0.91 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7721547 0.90 GABRG2 (0.95) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7718010 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL17088099 0.90 GABRG2 (0.82) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL639547 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL29518128 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL4990402 0.89 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7721750 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL29712107 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL29712005 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490344-B1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC SIDE EFFECTS WISYS TECHNOLOGY FOUND INC (US) 2008-03-19 EP claimed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US claimed
US-12054491-B2 Substituted benzo[f]imidazo[1,5-a][1,4]diazepines as GABA(a) receptor modulators UWM RESEARCH FOUNDATION, INC. (US) 2024-08-06 US disclosed
US-20230103216-A1 GABA(A) RECEPTOR MODULATORS AND METHODS TO CONTROL AIRWAY HYPERRESPONSIVENESS AND INFLAMMATION IN ASTHMA UWM RESEARCH FOUNDATION, INC. 2023-03-30 US disclosed
US-11447495-B2 Substituted benzo[f]imidazo[1,5-a][1,4]diazepines as GABA(a) receptor modulators UWM RESEARCH FOUNDATION, INC. (US) 2022-09-20 US disclosed
CN-109790170-B GABA (A) receptor modulators and methods of controlling airway hyperresponsiveness and inflammation in asthma UWM研究基金会有限公司 2022-08-02 CN disclosed
US-20220079952-A1 Uses of Radiation and Benzodiazepine Derivatives in Cancer Therapies UNIV EMORY (US) 2022-03-17 US disclosed
EP-3500573-B1 GABA(A) RECEPTOR MODULATORS AND METHODS TO CONTROL AIRWAY HYPERRESPONSIVENESS AND INFLAMMATION IN ASTHMA UWM RES FOUNDATION INC (US) 2021-10-06 EP disclosed
US-20210284649-A1 GABA(A) RECEPTOR MODULATORS AND METHODS TO CONTROL AIRWAY HYPERRESPONSIVENESS AND INFLAMMATION IN ASTHMA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-16 US disclosed
WO-2020242923-A1 USES OF RADIATION AND BENZODIAZEPINE DERIVATIVES IN CANCER THERAPIES EMORY UNIVERSITY (US) 2020-12-03 WO disclosed
US-20190300534-A1 GABAERGIC LIGANDS AND THEIR USES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-10-03 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
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
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
US-7119196-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-10-10 US disclosed
US-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-05 US disclosed
US-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-29 US disclosed
WO-2003082832-A2 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2003-10-09 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 (10 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-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA5 6/4885
US-12054491-B2 Substituted benzo[f]imidazo[1,5-a][1,4]diazepines as GABA(a) receptor modulators GABRA5, GABRA4, GABRA1 GABRG2 14/4885GABRB3 8/4885GABRA5 1/4885
US-20220079952-A1 Uses of Radiation and Benzodiazepine Derivatives in Cancer Therapies GABBR1, GABBR2, GABRA3 GABRG2 13/4885GABRB3 9/4885GABRA5 8/4885
US-20230103216-A1 GABA(A) RECEPTOR MODULATORS AND METHODS TO CONTROL AIRWAY HYPERRESPONSIVENESS AND INFLAMMATION IN ASTHMA GABRA4, GABRA5, GABRB1 GABRG2 15/4885GABRB3 5/4885GABRA5 2/4885
US-11447495-B2 Substituted benzo[f]imidazo[1,5-a][1,4]diazepines as GABA(a) receptor modulators GABRA4, GABRA5, GABRA1 GABRG2 13/4885GABRB3 9/4885GABRA5 2/4885
US-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects GABRE, GABRA6, GABRA5 GABRG2 21/4885GABRB3 14/4885GABRA5 3/4885
US-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA5 6/4885
US-20210284649-A1 GABA(A) RECEPTOR MODULATORS AND METHODS TO CONTROL AIRWAY HYPERRESPONSIVENESS AND INFLAMMATION IN ASTHMA GABRA4, GABRA5, GABRB1 GABRG2 15/4885GABRB3 5/4885GABRA5 2/4885
US-20190300534-A1 GABAERGIC LIGANDS AND THEIR USES GABRA3, GABRB3, GABRA2 GABRG2 11/4885GABRB3 2/4885GABRA5 14/4885
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 GABRG2 14/4885GABRB3 8/4885GABRA5 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.