Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL4158435 | 1.00 | CACNA2D1 (0.43) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL16576 | 0.91 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL2637586 | 0.91 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL16694 | 0.91 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL262563 | 0.89 | CACNA2D1 (0.44) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Ammonia Solution, Strong SCHEMBL3024172 | 0.89 | CACNA2D1 (0.44) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL262562 | 0.89 | CACNA2D1 (0.44) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Ammonia Solution, Strong SCHEMBL3024177 | 0.89 | CACNA2D1 (0.44) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Tert-Butylamine SCHEMBL4383780 | 0.82 | CACNA2D1 (0.31) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4390679 | 0.81 | CACNA2D1 (0.41) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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-20090124820-A1 | C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin | PFIZER INC. | 2009-05-14 | — | — | US | disclosed |
| EP-1727620-B1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | WARNER LAMBERT CO (US) | 2007-08-29 | — | — | EP | disclosed |
| EP-1727620-A1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | Warner-Lambert Company LLC (US) | 2006-12-06 | — | — | EP | disclosed |
| US-20050228190-A1 | C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin | BAO JIAN | 2005-10-13 | — | — | US | disclosed |
| WO-2005087370-A1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | WARNER-LAMBERT COMPANY LLC (US) | 2005-09-22 | — | — | WO | 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 (2 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-20050228190-A1 | C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin | GABRA5, CNR1, GABRE | CACNA2D1 276/4885CACNB3 261/4885CACNA1C 185/4885 |
| US-20090124820-A1 | C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin | GABRE, GABRP, GABRA5 | CACNA2D1 260/4885CACNB3 244/4885CACNA1C 156/4885 |
“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.