Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 6/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | PDE6D | O43924 | 1/20 | 0.38 |
| ▸ | PDE6A | P16499 | 1/20 | 0.38 |
| ▸ | PDE6G | P18545 | 1/20 | 0.38 |
| ▸ | PDE6B | P35913 | 1/20 | 0.38 |
| ▸ | PDE6C | P51160 | 1/20 | 0.38 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4072595 | 0.82 | NOTUM (0.37) | CA12CA2CA9NOTUMCA1 | |
| SCHEMBL13724635 | 0.76 | KDM4E (0.36) | GAAKDM4ECA12CA2CA9 | |
| SCHEMBL4072241 | 0.76 | KDM4E (0.36) | GAABACE1KDM4ECA12CA2 | |
| SCHEMBL2644157 | 0.76 | KDM4E (0.39) | GAAKDM4ECA12CA2CA9 | |
| SCHEMBL2644153 | 0.76 | KDM4E (0.36) | GAABACE1PDE2APDE10APDE6D | |
| SCHEMBL1106628 | 0.74 | — | — | |
| SCHEMBL31543981 | 0.73 | KDM4E (0.37) | GAAKDM4EPDE4AMAPTKMT2A | |
| Hydrochloric Acid SCHEMBL28832304 | 0.73 | CYP1A2 (0.36) | PDE2APDE10ACA12CA2CA9 | |
| Hydrochloric Acid SCHEMBL29090737 | 0.72 | CA12 (0.48) | PDE2APDE10AKDM4ECA12CA2 | |
| SCHEMBL4076045 | 0.72 | PDE10A (0.40) | PDE2APDE10APDE6DPDE6APDE6G |
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 | GAA 3358/4885BACE1 2124/4885PDE2A 1038/4885 |
| US-20080091034-A1 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | CHRM5, CHRM1, CHRM3 | GAA 4256/4885BACE1 3184/4885PDE2A 397/4885 |
“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.