SCHEMBL7724649

SCHEMBL7724649

C#Cc1cc2c(s1)C(c1ccccc1)=NCC1=N/C(=C\N3CCN(C)CC3)C(=O)N12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA2 P47869 5/20 0.36
GABRB2 P47870 4/20 0.36
KDM4E B2RXH2 1/20 0.31
CCKBR P32239 1/20 0.31
PTAFR P25105 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
CACNA1F O60840 1/20 0.30
ALB P02768 1/20 0.30
GABRB1 P18505 1/20 0.30
OPRK1 P41145 1/20 0.30
AKR1C3 P42330 1/20 0.30
GABRA4 P48169 1/20 0.30
AKR1C2 P52895 1/20 0.30
GABRE P78334 1/20 0.30

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
SCHEMBL13631887 0.83 GABRA1 (0.30) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7717567 0.81 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8359287 0.79 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7723239 0.76 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11464366 0.76 OPRK1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8274523 0.76 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7725917 0.74 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14217644 0.74 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11464875 0.69 OPRK1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11497437 0.69 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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 13 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
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-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

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-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 GABRA1 12/4885GABRG2 25/4885GABRB3 7/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRG2 15/4885GABRB3 9/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 7/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 7/4885
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 GABRA1 5/4885GABRG2 14/4885GABRB3 8/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRA1 4/4885GABRG2 11/4885GABRB3 16/4885

“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.