⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2078018 | 1.00 | — | — | |
| SCHEMBL1899759 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL14842937 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL22287237 | 0.78 | — | — | |
| SCHEMBL7509580 | 0.77 | — | — | |
| SCHEMBL7514255 | 0.77 | — | — | |
| Ethylene SCHEMBL11644945 | 0.75 | ALDH1A1 (0.42) | — | |
| Ethylene SCHEMBL11644957 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL11461024 | 0.74 | — | — | |
| SCHEMBL2078222 | 0.70 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1833824-B1 | 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS | ABBVIE INC (US) | 2016-08-03 | — | — | EP | disclosed |
| US-20110065685-A1 | NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2011-03-17 | — | — | US | disclosed |
| US-7750039-B2 | Indoles are cannabinoid receptor ligands | ABBOTT LABORATORIES (US) | 2010-07-06 | — | — | US | disclosed |
| US-7560481-B2 | {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants | ABBOTT LABORATORIES (US) | 2009-07-14 | — | — | US | disclosed |
| US-20090149501-A1 | NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2009-06-11 | — | — | US | disclosed |
| EP-1833824-A1 | 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2007-09-19 | — | — | EP | disclosed |
| US-20070037801-A1 | {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants | ABBVIE INC. | 2007-02-15 | — | — | US | disclosed |
| WO-2006069196-A1 | 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2006-06-29 | — | — | WO | disclosed |