SCHEMBL2843048

SCHEMBL2843048

C[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccn1)=NCC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.64
GABRA1 P14867 10/20 0.44
GABRA5 P31644 10/20 0.44
GABRA3 P34903 10/20 0.44
GABRA2 P47869 9/20 0.44
GABRG2 P18507 7/20 0.44
GABRB3 P28472 7/20 0.44
PDE4D Q08499 2/20 0.43
CNR1 P21554 1/20 0.43
NTSR1 P30989 1/20 0.43
OPRK1 P41145 1/20 0.43
GABRB2 P47870 7/20 0.42
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42

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
SCHEMBL7720960 0.84 PDE4D (0.61) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL13009749 0.82 GABRA1 (0.66) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL7721415 0.82 GABRA1 (0.64) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL7723209 0.79 GABRA1 (0.64) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL7377690 0.78 ADRA1A (0.74) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL43933 0.78 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL29382152 0.78 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL14215423 0.78 ADRA1A (0.74) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL29366892 0.78 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2
Bromazepam SCHEMBL29521776 0.78 ADRA1A (1.00) ADRA1AGABRA1GABRA5GABRA3GABRA2

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 27 patents — showing the first 20. 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-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-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-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-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-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-12-27 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-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-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 (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 ADRA1A 145/4885GABRA1 3/4885GABRA5 6/4885
US-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 ADRA1A 354/4885GABRA1 12/4885GABRA5 5/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 ADRA1A 183/4885GABRA1 3/4885GABRA5 6/4885
US-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects GABRA3, GABRA2, GABRA1 ADRA1A 145/4885GABRA1 3/4885GABRA5 6/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 ADRA1A 145/4885GABRA1 3/4885GABRA5 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 ADRA1A 528/4885GABRA1 5/4885GABRA5 6/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 ADRA1A 795/4885GABRA1 4/4885GABRA5 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.