SCHEMBL7725966

SCHEMBL7725966

C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C)ccc3-4)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 10/20 1.00
GABRA1 P14867 8/20 1.00
GABRA6 Q16445 4/20 0.88
GABRA4 P48169 3/20 0.84
GABRB2 P47870 4/20 0.55

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
SCHEMBL7721547 0.97 GABRG2 (0.95) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL14573786 0.95 GABRG2 (0.90) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7718010 0.94 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL14215364 0.91 GABRG2 (0.95) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL13966617 0.91 GABRG2 (0.83) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL638718 0.91 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL4990402 0.89 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL13966605 0.89 GABRA3 (0.84) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7722582 0.88 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL8235486 0.88 GABRG2 (0.78) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 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-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-27 US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 GABRG2 25/4885GABRB3 7/4885GABRA5 5/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 GABRG2 15/4885GABRB3 9/4885GABRA5 6/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA5 6/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA5 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 GABRG2 14/4885GABRB3 8/4885GABRA5 6/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRG2 11/4885GABRB3 16/4885GABRA5 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.