Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Bencyclane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.51 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.47 |
| ▸ | CTSL | P07711 | 3/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | AQP3 | Q92482 | 1/20 | 0.38 |
| ▸ | AQP1 | P29972 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Bencyclane SCHEMBL1568812 | 0.99 | HRH1 (0.52) | HRH1CTSKCTSLCTSBCHRM2 | |
| Bencyclane SCHEMBL220903 | 0.99 | HRH1 (0.52) | HRH1CTSKCTSLCTSBCHRM2 | |
| Bencyclane SCHEMBL64881 | 0.89 | AQP3 (0.44) | HRH1CTSKCTSLCTSBCHRM2 | |
| Bencyclane SCHEMBL11215911 | 0.82 | HRH1 (0.38) | HRH1CTSKCTSLCTSBALDH1A1 | |
| Pyritinol SCHEMBL10629435 | 0.79 | HRH1 (0.40) | HRH1CTSKCTSLCTSBALDH1A1 | |
| SCHEMBL11666639 | 0.78 | AQP1 (0.43) | HRH1CTSKCTSLCTSBCHRM2 | |
| SCHEMBL13681480 | 0.76 | AQP3 (0.50) | HRH1CHRM2CHRM1CHRM3CHRM4 | |
| SCHEMBL11444307 | 0.75 | HRH3 (0.50) | CHRM2CHRM1ALDH1A1KDM4EAQP3 | |
| Etafenone SCHEMBL4715940 | 0.74 | ABCB1 (0.48) | ALDH1A1LMNASMN1; SMN2KDM4E | |
| SCHEMBL14409639 | 0.74 | AQP3 (0.48) | HRH1CHRM2CHRM1CHRM3CHRM4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10653687-B2 | Methods and pharmaceutical compostions for treating rhabdomyolysis | INSERM (Institut National de la Santé et de la Recherche Médicale (FR) | 2020-05-19 | — | — | US | disclosed |
| US-20180325890-A1 | METHODS AND PHARMACEUTICAL COMPOSTIONS FOR TREATING RHABDOMYOLYSIS | Universite De Paris (FR) | 2018-11-15 | — | — | US | disclosed |
| EP-3377095-A1 | METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING RHABDOMYOLYSIS | INSERM - Institut National de la Santé et de la Recherche Médicale (FR) | 2018-09-26 | — | — | EP | disclosed |