Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL489645 | 1.00 | — | — | |
| Bromide SCHEMBL908097 | 1.00 | — | — | |
| SCHEMBL31225133 | 0.97 | — | — | |
| SCHEMBL75737 | 0.97 | — | — | |
| SCHEMBL75738 | 0.97 | — | — | |
| SCHEMBL489083 | 0.97 | — | — | |
| SCHEMBL31266879 | 0.93 | — | — | |
| Potassium SCHEMBL31266896 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL238775 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL902194 | 0.93 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1892241-B1 | NOVEL PIPERIDINE DERIVATIVE | MSD KK (JP) | 2016-03-30 | — | — | EP | disclosed |
| EP-1717230-B1 | FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE | MSD KK (JP) | 2014-08-06 | — | — | EP | disclosed |
| US-8268842-B2 | Fused ring 4-oxopyrimidine derivative | MSD K.K. (JP) | 2012-09-18 | — | — | US | disclosed |
| US-8138206-B2 | Piperidine derivative | MSD. K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2258694-A1 | Amines as histamine-3 receptor ligands and their therapeutic applications | Abbott Laboratories (US) | 2010-12-08 | — | — | EP | disclosed |
| US-20090209562-A1 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-08-20 | — | — | US | disclosed |
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |
| US-20090137576-A1 | Novel Piperidine Derivative | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-7538138-B2 | Amines as histamine-3 receptor ligands and their therapeutic applications | ABBOTT LABORATORIES (US) | 2009-05-26 | — | — | US | disclosed |
| US-7521455-B2 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO. LTD. (JP) | 2009-04-21 | — | — | US | disclosed |
| US-20050192277-A1 | Novel amines as histamine-3 receptor ligands and their therapeutic applications | ABBVIE INC. | 2005-09-01 | — | — | US | disclosed |
| US-20050182045-A1 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-08-18 | — | — | US | disclosed |
| US-6887887-B2 | Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2005-05-03 | — | — | US | disclosed |
| WO-2005007648-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |
| US-20040019083-A1 | Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2004-01-29 | — | — | US | disclosed |
| EP-1370546-A2 | NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS | Abbott Laboratories (US) | 2003-12-17 | — | — | EP | disclosed |
| US-6660741-B2 | Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2003-12-09 | — | — | US | disclosed |
| US-20020198156-A1 | Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2002-12-26 | — | — | US | disclosed |
| US-20020169188-A1 | Novel amines as histamine-3 receptor ligands and their therapeutic applications | ABBVIE INC. | 2002-11-14 | — | — | US | disclosed |
| WO-2002074758-A2 | NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS | ABBOTT LABORATORIES (US) | 2002-09-26 | — | — | WO | disclosed |