SCHEMBL2846321

SCHEMBL2846321

C[Si](C)(C)C#Cc1ccc2c(c1)C(c1cccs1)=NCCN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2843050 0.84 NISCH (0.46) NISCHGABRA1GABRG2GABRB3GABRA5
SCHEMBL7723209 0.81 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2843801 0.77 NISCH (0.49) NISCHGABRA1GABRG2GABRB3GABRA5
SCHEMBL2847576 0.77 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7722413 0.71 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1199144 0.69 NISCH (0.42) NISCHGABRA1GABRG2GABRB3GABRA5
SCHEMBL16063032 0.69 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9667241 0.65 NISCH (0.60) NISCHGABRA1GABRG2GABRB3GABRA5
SCHEMBL29505417 0.64 APP (0.47)
SCHEMBL25171710 0.64 TDO2 (0.40) MAOBMAOATSHRALDH1A1MEN1

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 15 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-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-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 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
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
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

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 NISCH 1200/4885GABRA1 3/4885GABRG2 14/4885
US-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 NISCH 2008/4885GABRA1 12/4885GABRG2 25/4885
US-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects GABRE, GABRA6, GABRA5 NISCH 2975/4885GABRA1 4/4885GABRG2 21/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 NISCH 2331/4885GABRA1 3/4885GABRG2 15/4885
US-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects GABRA3, GABRA2, GABRA1 NISCH 1200/4885GABRA1 3/4885GABRG2 14/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 NISCH 1200/4885GABRA1 3/4885GABRG2 14/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 NISCH 1200/4885GABRA1 3/4885GABRG2 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 NISCH 1421/4885GABRA1 5/4885GABRG2 14/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 NISCH 3104/4885GABRA1 7/4885GABRG2 24/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 NISCH 1654/4885GABRA1 4/4885GABRG2 11/4885

“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.