Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL3822041 | 0.83 | CA12 (0.40) | CA12CA2CA9CA1CA14 | |
| SCHEMBL4076045 | 0.82 | PDE10A (0.40) | CA12CA2CA9CA1SSTR4 | |
| SCHEMBL31651587 | 0.78 | CA12 (0.41) | CA12CA2CA9CA1CA14 | |
| SCHEMBL4073150 | 0.78 | CA12 (0.37) | CA12CA2CA9CA1CA14 | |
| SCHEMBL1106628 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29090737 | 0.74 | CA12 (0.48) | CA12CA2CA9CA1PDE2A | |
| SCHEMBL16861325 | 0.72 | CA12 (0.35) | CA12CA2CA9CA1SSTR4 | |
| SCHEMBL4072595 | 0.71 | NOTUM (0.37) | CA12CA2CA9CA1CA14 | |
| SCHEMBL15087922 | 0.71 | SLC6A2 (0.38) | CA12CA2CA9CA1SSTR4 | |
| SCHEMBL4079147 | 0.71 | CA12 (0.54) | CA12CA2CA9CA1SSTR4 |
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 | CA12 4826/4885CA2 3153/4885CA9 3418/4885 |
| US-20080091034-A1 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | CHRM5, CHRM1, CHRM3 | CA12 4566/4885CA2 1653/4885CA9 3243/4885 |
“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.