Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Charcoal, Activated. 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 | |
|---|---|---|---|---|
| Charcoal, Activated SCHEMBL58859 | 1.00 | — | — | |
| Water SCHEMBL19761 | 0.82 | — | — | |
| Water SCHEMBL28099857 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL5985181 | 0.67 | — | — | |
| Water SCHEMBL8750572 | 0.67 | — | — | |
| Water SCHEMBL23929194 | 0.67 | — | — | |
| Methane SCHEMBL2579963 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL1303298 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL6335521 | 0.67 | — | — | |
| Water SCHEMBL11233286 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100203039-A1 | 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS | INCYTE CORPORATION | 2010-08-12 | — | — | US | disclosed |
| US-7700624-B2 | 3-aminocyclopentanecrboxamides as modulators of chemokine receptors | INCYTE CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1971576-A2 | 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS | Incyte Corporation (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007072201-A2 | 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS | INCYTE CORPORATION (US) | 2007-06-28 | — | — | WO | disclosed |
| US-20070149532-A1 | 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors | INCYTE CORPORATION | 2007-06-28 | — | — | US | disclosed |