Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 5/20 | 0.40 |
| ▸ | ATP4B | P51164 | 5/20 | 0.40 |
| ▸ | ATP1A1 | P05023 | 4/20 | 0.40 |
| ▸ | ATP1B1 | P05026 | 4/20 | 0.40 |
| ▸ | ATP1A3 | P13637 | 4/20 | 0.40 |
| ▸ | ATP1B2 | P14415 | 4/20 | 0.40 |
| ▸ | ATP1A2 | P50993 | 4/20 | 0.40 |
| ▸ | ATP1B3 | P54709 | 4/20 | 0.40 |
| ▸ | FXYD2 | P54710 | 4/20 | 0.40 |
| ▸ | ATP1A4 | Q13733 | 4/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5208670 | 0.89 | TRPV4 (0.40) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL4076975 | 0.86 | ATP4A (0.38) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL4079858 | 0.81 | TRPV4 (0.37) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL4074890 | 0.81 | ALDH1A1 (0.44) | ALDH1A1DRD1GAATRPA1CYP2C9 | |
| SCHEMBL4069883 | 0.76 | HPGD (0.49) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL4072811 | 0.75 | ALDH1A1 (0.38) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL28718097 | 0.74 | HPGD (0.55) | ALDH1A1DRD1GAAMAPK1L3MBTL1 | |
| SCHEMBL4076971 | 0.74 | GRIN1 (0.34) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| Hydrochloric Acid SCHEMBL28132731 | 0.71 | ALDH1A1 (0.38) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL4074317 | 0.71 | ALDH1A1 (0.36) | ALDH1A1GAATRPA1CYP2C9CYP1A2 |
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-7572918-B2 | Prepared in high yield and high purity without the need for isolation of intermediates and chromatographic purification; useful as muscarinic receptor antagonists; 4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl)-hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine | THERAVANCE, INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-20080091034-A1 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. | 2008-04-17 | — | — | US | disclosed |
| US-7285564-B2 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. (US) | 2007-10-23 | — | — | US | disclosed |
| EP-1556372-B1 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2007-05-30 | — | — | EP | disclosed |
| US-20060094878-A1 | Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. | 2006-05-04 | — | — | US | 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-20060094878-A1 | Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | CHRM4, CHRM3, CHRM1 | ATP4A 2517/4885ATP4B 1904/4885ATP1A1 3539/4885 |
| US-20080091034-A1 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | CHRM5, CHRM1, CHRM3 | ATP4A 1516/4885ATP4B 1578/4885ATP1A1 1666/4885 |
“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.