Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5069254 | 0.81 | TSHR (0.50) | ALDH1A1TSHRSMN1; SMN2PKMMEN1 | |
| SCHEMBL29028819 | 0.79 | TSHR (0.48) | ALDH1A1TSHRSMN1; SMN2PKMMEN1 | |
| SCHEMBL28170343 | 0.77 | AOC2 (0.51) | ALDH1A1TSHRSMN1; SMN2HPGDCYP2C9 | |
| SCHEMBL5070934 | 0.77 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2AGAA | |
| SCHEMBL5068381 | 0.77 | TSHR (0.48) | ALDH1A1TSHRSMN1; SMN2PKM | |
| SCHEMBL10855433 | 0.76 | SLC12A2 (0.51) | ALDH1A1TSHRSMN1; SMN2HPGDMEN1 | |
| SCHEMBL28988057 | 0.76 | SMN1; SMN2 (0.52) | ALDH1A1TSHRSMN1; SMN2HPGDCYP2C9 | |
| SCHEMBL13486887 | 0.74 | — | — | |
| SCHEMBL13486886 | 0.74 | — | — | |
| SCHEMBL153432 | 0.74 | — | — |
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-7365215-B2 | Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same | UBE INDUSTRIES, LTD. (JP) | 2008-04-29 | — | — | US | disclosed |
| US-20070106083-A1 | Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same | UBE INDUSTRIES, LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1661894-A1 | PROCESS FOR PRODUCTION OF 4-AMINOTETRAHYDROPYRANS AND SALTS THEREOF WITH ACIDS, INTERMEDIATES FOR THE PROCESS, AND PROCESS FOR PRODUCTION THEREOF | Ube Industries, Ltd. (JP) | 2006-05-31 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070106083-A1 | Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same | PAH, HPD, REN | ALDH1A1 875/4885TSHR 3997/4885SMN1; SMN2 3594/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.