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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | 0.83 | HRH1 (0.52) | HRH1CTSKCTSLCTSBLMNA | |
| Bencyclane SCHEMBL220903 | 0.83 | HRH1 (0.52) | HRH1CTSKCTSLCTSBLMNA | |
| Bencyclane SCHEMBL20505617 | 0.82 | HRH1 (0.51) | HRH1CTSKCTSLCTSBLMNA | |
| Tetrahydrocortisone SCHEMBL11214264 | 0.79 | CYP3A4 (0.41) | MEN1LMNAKMT2AALDH1A1TSHR | |
| Tetrahydrocortisone SCHEMBL11312158 | 0.75 | CYP3A4 (0.43) | MEN1LMNAKMT2AALDH1A1TSHR | |
| Bencyclane SCHEMBL64881 | 0.74 | AQP3 (0.44) | HRH1CTSKCTSLCTSBALDH1A1 | |
| Pyritinol SCHEMBL10629435 | 0.66 | HRH1 (0.40) | HRH1CTSKCTSLCTSBALDH1A1 | |
| SCHEMBL11666639 | 0.65 | AQP1 (0.43) | HRH1CTSKCTSLCTSBALDH1A1 | |
| SCHEMBL13681480 | 0.63 | AQP3 (0.50) | HRH1POLB | |
| Sulfaguanidine SCHEMBL4347029 | 0.63 | TSHR (0.61) | HTR6MEN1LMNAKMT2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0018773-B1 | A PHARMACEUTICAL COMPOSITION CONTAINING BENCYCLANE FUMARATE, A PROCESS FOR ITS PREPARATION AND AN INCLUSION COMPOUND CONTAINING BENCYCLANE FUMARATE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-06-22 | — | — | EP | disclosed |
| US-4352793-A | ANTICONVULSANTS, VASODILATORS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-10-05 | — | — | US | disclosed |