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 | |
|---|---|---|---|---|
| SCHEMBL26404 | 0.94 | — | — | |
| SCHEMBL27626913 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27991631 | 0.90 | — | — | |
| Ethylamine SCHEMBL720431 | 0.85 | — | — | |
| SCHEMBL2178206 | 0.85 | TTR (0.35) | — | |
| Benzene SCHEMBL28308833 | 0.85 | — | — | |
| SCHEMBL25941 | 0.81 | — | — | |
| SCHEMBL14321619 | 0.81 | — | — | |
| Acetamide SCHEMBL720429 | 0.78 | LMNA (0.40) | — | |
| SCHEMBL6467586 | 0.78 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7714023-B2 | Treatment or prophylaxis of migraine or headache disorders using citalopram, escitalopram or citalopram metabolites | SEPRACOR INC. (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1720541-A1 | TREATMENT OR PROPHYLAXIS OF MIGRAINE OR HEADACHE DISORDERS USING CITALOPRAM, ESCITALOPRAM OR CITALOPRAM METABOLITES | Sepracor, Inc. (US) | 2006-11-15 | — | — | EP | disclosed |
| US-20050192344-A1 | Treatment or prophylaxis of migraine or headache disorders using citalopram, escitalopram or citalopram metabolites | SEPRACOR INC. (US) | 2005-09-01 | — | — | US | disclosed |
| WO-2005079787-A1 | TREATMENT OR PROPHYLAXIS OF MIGRAINE OR HEADACHE DISORDERS USING CITALOPRAM, ESCITALOPRAM OR CITALOPRAM METABOLITES | SEPRACOR INC. (US) | 2005-09-01 | — | — | WO | disclosed |
| US-20040266864-A1 | Methods for treating depression and other CNS disorders using enantiomerically enriched desmethyl-and didesmethyl-metabolites of citalopram | SEPRACOR INC. | 2004-12-30 | — | — | US | disclosed |
| EP-1446396-A1 | METHODS FOR TREATING DEPRESSION AND OTHER CNS DISORDERS USING ENANTIOMERICALLY ENRICHED DESMETHYL- AND DIDESMETHYL-METABOLITES OF CITALOPRAM | Sepracor, Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003040121-A1 | METHODS FOR TREATING DEPRESSION AND OTHER CNS DISORDERS USING ENANTIOMERICALLY ENRICHED DESMETHYL- AND DIDESMETHYL-METABOLITES OF CITALOPRAM | SEPRACOR, INC. (US) | 2003-05-15 | — | — | WO | disclosed |
| EP-0642516-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1995-03-15 | — | — | EP | disclosed |
| EP-0638082-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1995-02-15 | — | — | EP | disclosed |
| EP-0642516-A4 | MACROCYCLIC IMMUNOMODULATORS. | ABBOTT LAB (US) | 1994-06-15 | — | — | EP | disclosed |
| EP-0638082-A4 | MACROCYCLIC IMMUNOMODULATORS. | ABBOTT LAB (US) | 1994-06-09 | — | — | EP | disclosed |
| WO-1993004680-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1993-03-18 | — | — | WO | disclosed |
| WO-1993004679-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1993-03-18 | — | — | WO | disclosed |