Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | CHUK | O15111 | 2/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.37 |
| ▸ | CDC42BPA | Q5VT25 | 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 | |
|---|---|---|---|---|
| SCHEMBL4069718 | 0.79 | CHRNB2 (0.48) | CHRNB4CHRNA3CHUKIKBKBGSK3A | |
| SCHEMBL15784059 | 0.79 | CHRNB4 (0.41) | CHRNB4CHRNA3CHUKIKBKBGSK3A | |
| SCHEMBL530190 | 0.79 | CHRNB4 (0.41) | CHRNB4CHRNA3CHUKIKBKBGSK3A | |
| SCHEMBL18133748 | 0.77 | CHRNB2 (0.61) | CHRNB4CHRNA3CHUKIKBKBGSK3A | |
| SCHEMBL15776679 | 0.77 | CNR2 (0.46) | — | |
| SCHEMBL15716810 | 0.77 | CHRNB4 (0.43) | CHRNB4CHRNA3CHUKIKBKBGSK3A | |
| Ammonia Solution, Strong SCHEMBL28406800 | 0.76 | CHRNB2 (0.59) | CHRNB4CHRNA3CHUKIKBKBGSK3A | |
| SCHEMBL4079144 | 0.76 | CA12 (0.53) | KDM4C | |
| SCHEMBL3067135 | 0.76 | RIPK1 (0.53) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17372473 | 0.75 | AOC1 (0.44) | CHRNB4CHRNA3CHUKIKBKBMELK |
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 | CHRNB4 28/4885CHRNA3 36/4885CHUK 2173/4885 |
| US-20080091034-A1 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | CHRM5, CHRM1, CHRM3 | CHRNB4 102/4885CHRNA3 80/4885CHUK 1168/4885 |
“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.