SCHEMBL2845958

SCHEMBL2845958

CCOC(=O)c1ncn2c1CN=C(c1ccccc1F)c1cc(Br)ccc1-2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 16/20 0.77
GABRB3 P28472 16/20 0.77
GABRA3 P34903 9/20 0.77
GABRA5 P31644 14/20 0.65
GABRA2 P47869 6/20 0.65
GABRB2 P47870 3/20 0.65
GABRA1 P14867 7/20 0.60
GABRA6 Q16445 3/20 0.60
GABRA4 P48169 2/20 0.60
MEN1 O00255 1/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
GABRB1 P18505 1/20 0.50
CYP2C19 P33261 1/20 0.50
GABRE P78334 1/20 0.50
KMT2A Q03164 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
SCHEMBL2845955 0.90 GABRG2 (0.62) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL30730005 0.89 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL8359220 0.89 GABRG2 (0.76) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL2848785 0.88 GABRG2 (0.76) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL30255515 0.87 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL29712005 0.87 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL29518128 0.87 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7721750 0.87 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL13061682 0.87 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL16063039 0.86 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA5GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753412-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with Alpha5-containing GABAA receptor agonists UWM RESEARCH FOUNDATION, INC. (US) 2023-09-12 US disclosed
US-11753412-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with Alpha5-containing GABAA receptor agonists UWM RESEARCH FOUNDATION, INC. (US) 2023-09-12 US disclosed
EP-4129297-A1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS UWM Research Foundation, Inc. (US) 2023-02-08 EP disclosed
EP-3439665-B1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS UWM RES FOUNDATION INC (US) 2022-06-29 EP disclosed
US-20210309662-A1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS CENTRE FOR ADDICTION AND MENTAL HEALTH (CA) 2021-10-07 US disclosed
US-10906909-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with ALPHA5-containing GABAA receptor agonists UWM RESEARCH FOUNDATION, INC. (US) 2021-02-02 US disclosed
US-20200181146-A1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS UWM RESEARCH FOUNDATION, INC. 2020-06-11 US disclosed
US-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 US disclosed
US-20180065967-A1 GABAERGIC LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2018-03-08 US disclosed
WO-2017161370-A1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS UWM RESEACH FOUNDATION, INC. (US) 2017-09-21 WO 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-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-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 (9 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 7/4885GABRA3 1/4885
US-11753412-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with Alpha5-containing GABAA receptor agonists GABRA5, CHRNA5, GABRA1 GABRG2 25/4885GABRB3 10/4885GABRA3 5/4885
US-20200181146-A1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS GABRA5, CHRNA5, GABRA1 GABRG2 25/4885GABRB3 10/4885GABRA3 5/4885
US-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects GABRE, GABRA6, GABRA5 GABRG2 21/4885GABRB3 14/4885GABRA3 11/4885
US-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA3 1/4885
US-20210309662-A1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS GABRA5, CHRNA5, GABRA1 GABRG2 25/4885GABRB3 10/4885GABRA3 5/4885
US-10906909-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with ALPHA5-containing GABAA receptor agonists GABRA5, CHRNA5, GABRA1 GABRG2 25/4885GABRB3 10/4885GABRA3 5/4885
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 8/4885GABRA3 1/4885
US-20180065967-A1 GABAERGIC LIGANDS AND THEIR USES GABRA3, GABRB3, GABRA2 GABRG2 11/4885GABRB3 2/4885GABRA3 1/4885

“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.