SCHEMBL2656796

SCHEMBL2656796

Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA3 P34903 20/20 1.00
GABRA1 P14867 8/20 1.00
GABRA5 P31644 3/20 1.00
GABRA2 P47869 6/20 0.76

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
SCHEMBL6774730 0.91 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL6769111 0.90 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL340381 0.89 GABRG2 (0.79) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2655130 0.88 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL6773403 0.87 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL6774402 0.86 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL220805 0.86 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2655036 0.86 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL6772674 0.86 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2657579 0.85 GABRG2 (0.78) GABRG2GABRB3GABRA3GABRA1GABRA5

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024501-A1 NEUROMODULATORY PEPTIDES LACTOCORE, INC. (US) 2025-01-30 WO claimed
US-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2004-04-01 US claimed
US-6579875-B1 Treatment of anxiety and convulsions; 7-cyclobutyl-3-(2,6-difluorophenyl)-6-(2-methyl-2H-1,2,4-triazol-3 -ylmethyoxy)-1,2,4-triazolo(4,3-b) pyridazine MERCK SHARP & DOHME LIMITED 2003-06-17 US claimed
US-12433898-B2 Use of GABAA receptor modulators for treatment of itch UNIVERSITAT ZURICH (CH) 2025-10-07 US disclosed
US-20250268912-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH UNIVERSITAT ZURICH (CH) 2025-08-28 US disclosed
US-20250222002-A1 METHODS FOR TREATING BENZODIAZEPINE MISUSE/USE DISORDER UNIVERSITY OF MISSISSIPPI MEDICAL CENTER 2025-07-10 US disclosed
CN-115003301-B With GABAATreatment of epileptic conditions with receptor modulators 纽罗塞克医疗公司 2025-05-06 CN disclosed
US-12233070-B2 Methods for treating benzodiazepine misuse/use disorder UNIVERSITY OF MISSISSIPPI MEDICAL CENTER (US) 2025-02-25 US disclosed
WO-2025024501-A1 NEUROMODULATORY PEPTIDES LACTOCORE, INC. (US) 2025-01-30 WO disclosed
US-12178838-B2 Synthetic neuromodulatory peptides LACTOCORE, INC. (US) 2024-12-31 US disclosed
CN-113573723-B Synthetic neuromodulatory peptides 拉托科公司 2024-12-03 CN disclosed
US-9844551-B2 Compositions and methods for treatment of fragile X syndrome CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-12-19 US disclosed
US-9844551-B2 Compositions and methods for treatment of fragile X syndrome CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-12-19 US disclosed
US-20160199373-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME CHILDREN'S HOSPITAL MEDICAL CENTER 2016-07-14 US disclosed
US-20160199373-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME CHILDREN'S HOSPITAL MEDICAL CENTER 2016-07-14 US disclosed
US-6828322-B2 Substituted 1,2, 4-triazolo(4,3-b)pyridazine derivatives; anxiolytic; anticonvulsant; antimigraine MERCK SHARP & DOHME LTD. 2004-12-07 US disclosed
US-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2004-04-01 US disclosed
US-6579875-B1 Treatment of anxiety and convulsions; 7-cyclobutyl-3-(2,6-difluorophenyl)-6-(2-methyl-2H-1,2,4-triazol-3 -ylmethyoxy)-1,2,4-triazolo(4,3-b) pyridazine MERCK SHARP & DOHME LIMITED 2003-06-17 US disclosed
EP-1049696-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-11-08 EP disclosed
WO-1999037644-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 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 (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-12233070-B2 Methods for treating benzodiazepine misuse/use disorder GABBR1, GABRB3, GABBR2 GABRG2 16/4885GABRB3 2/4885GABRA3 6/4885
US-20160199373-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME GABBR1, GABBR2, GABRE GABRG2 12/4885GABRB3 4/4885GABRA3 5/4885
US-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors GABRA3, GABBR1, GABRA2 GABRG2 15/4885GABRB3 6/4885GABRA3 1/4885
US-20250268912-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH GABRB2, GABRB3, GABRB1 GABRG2 8/4885GABRB3 2/4885GABRA3 9/4885
US-12433898-B2 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 GABRG2 8/4885GABRB3 2/4885GABRA3 9/4885
US-20250222002-A1 METHODS FOR TREATING BENZODIAZEPINE MISUSE/USE DISORDER GABBR1, GABRB3, GABBR2 GABRG2 16/4885GABRB3 2/4885GABRA3 6/4885

“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.