SCHEMBL637699

SCHEMBL637699

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

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 16/20 0.79
GABRB3 P28472 16/20 0.79
GABRA3 P34903 15/20 0.79
GABRA2 P47869 12/20 0.76
GABRA5 P31644 11/20 0.76
GABRA1 P14867 10/20 0.76
GABRA6 Q16445 4/20 0.76
GABRA4 P48169 2/20 0.76
GABRB2 P47870 6/20 0.56

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
SCHEMBL10045479 0.92 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL637991 0.92 GABRA3 (0.74) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL639291 0.92 GABRG2 (0.74) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL16638525 0.90 GABRG2 (0.74) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL13976094 0.89 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL13835287 0.89 GABRA3 (0.73) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL637638 0.88 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL13966606 0.88 GABRA3 (0.76) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL13061667 0.88 GABRA3 (1.00) GABRG2GABRB3GABRA3GABRA2GABRA5
SCHEMBL638802 0.87 GABRA3 (0.67) GABRG2GABRB3GABRA3GABRA2GABRA5

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 31 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-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 US disclosed
US-9597342-B2 GABAergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2017-03-21 US disclosed
US-9597342-B2 GABAergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2017-03-21 US disclosed
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-20090093466-A1 Carboxamide GABAa ALPHA2 Modulators BRISTOL-MYERS SQUIBB COMPANY 2009-04-09 US disclosed
EP-1925614-A1 Anxiolytic agents with reduced sedative and ataxic effects Wisys Technology Foundation, Inc. (US) 2008-05-28 EP disclosed
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-05-08 US disclosed
EP-1490344-B1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC SIDE EFFECTS WISYS TECHNOLOGY FOUND INC (US) 2008-03-19 EP 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
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
WO-2006004945-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-12 WO 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 (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-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA3 1/4885
US-20090093466-A1 Carboxamide GABAa ALPHA2 Modulators GABRA2, GABRB2, GABRB1 GABRG2 12/4885GABRB3 7/4885GABRA3 9/4885
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES GABRA3, GABRA2, GABRB3 GABRG2 10/4885GABRB3 3/4885GABRA3 1/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA3 1/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA3 1/4885
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

“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.