SCHEMBL7724596

SCHEMBL7724596

C#Cc1ccc2c(c1)C(c1ccccn1)=NCC(=C)N2C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 16/20 0.63
GABRA2 P47869 13/20 0.63
GABRA1 P14867 13/20 0.63
GABRA5 P31644 12/20 0.63
GABRB2 P47870 8/20 0.63
GABRG2 P18507 11/20 0.56
GABRB3 P28472 11/20 0.56
CYP1A2 P05177 1/20 0.39
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL2845763 0.87 GABRA3 (0.72) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL13523787 0.75 GABRA3 (0.49) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL18649983 0.73 GABRA3 (0.49) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL2845678 0.73 GABRA3 (0.74) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL18096602 0.73 GABRA3 (0.72) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL17088097 0.73 GABRA3 (0.69) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL13061809 0.72 GABRA3 (0.81) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL13061667 0.72 GABRA3 (1.00) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL8363087 0.72 GABRA3 (1.00) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL17088103 0.72 GABRG2 (0.69) GABRA3GABRA2GABRA1GABRA5GABRB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 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 (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 GABRA3 1/4885GABRA2 2/4885GABRA1 3/4885
US-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 GABRA3 8/4885GABRA2 9/4885GABRA1 12/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 GABRA3 1/4885GABRA2 2/4885GABRA1 3/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 GABRA3 1/4885GABRA2 2/4885GABRA1 3/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRA3 1/4885GABRA2 2/4885GABRA1 3/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRA3 5/4885GABRA2 3/4885GABRA1 4/4885

“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.