Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3788639 | 0.95 | — | — | |
| Bromide SCHEMBL3523586 | 0.93 | — | — | |
| SCHEMBL1052113 | 0.82 | — | — | |
| Bromide SCHEMBL6635203 | 0.80 | TBXAS1 (0.68) | — | |
| SCHEMBL2473495 | 0.80 | TBXAS1 (0.75) | — | |
| SCHEMBL4773938 | 0.80 | TBXAS1 (0.75) | — | |
| Bromide SCHEMBL10851882 | 0.78 | TBXAS1 (0.72) | — | |
| SCHEMBL28281551 | 0.78 | TBXAS1 (0.79) | — | |
| SCHEMBL21839255 | 0.78 | TBXAS1 (0.79) | — | |
| SCHEMBL28280378 | 0.78 | TBXAS1 (0.79) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7652006-B2 | For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases | EURO-CELTIQUE S.A. (LU) | 2010-01-26 | — | — | US | disclosed |
| US-20040162299-A1 | Substituted quinazolines and analogs and the use thereof | EURO-CELTIQUE, S.A. | 2004-08-19 | — | — | US | disclosed |
| US-6765006-B2 | ANTAGONISTS OF AMINO-3-HYDROXY-5-METHYLISOXAZOLE-4-PROPIONIC ACID (AMPA) IONOTROPIC RECEPTORS; NEURODEGENERATIVE, ALZHEIMER'S, AND HUNTINGTON'S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS; SCHIZOPHRENIA, EXCITATORY AMINO ACID DEFICIENCY | EURO-CELTIQUE S.A. (LU) | 2004-07-20 | — | — | US | disclosed |
| EP-1066039-A4 | SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF | COCENSYS INC (US) | 2003-02-26 | — | — | EP | disclosed |
| US-20030033089-A1 | Substituted quinazolines and analogs and the use thereof | EURO-CELTIQUE S.A. | 2003-02-13 | — | — | US | disclosed |
| US-6465472-B1 | SUCH AS 1-(2-DIETHYLAMINOETHYL)-6,7-METHYLENEDIOXY-4-(3,4-METHYLENE -DIOXYPHENYL)QUINAZOLIN-2(1H)-ONE; AMPA IONOTROPIC RECEPTOR ANTAGONISTS; ANTICONVULSANTS, COGNITIVE ENHANCERS, PREVENTION OF NEURODEGENERATION | EURO-CELTIQUE S.A. (LU) | 2002-10-15 | — | — | US | disclosed |
| EP-1066039-A1 | SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF | Cocensys, Inc. (US) | 2001-01-10 | — | — | EP | disclosed |
| WO-1999044612-A1 | SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF | COCENSYS, INC. (US) | 1999-09-10 | — | — | WO | disclosed |