Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | GPR6 | P46095 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2494359 | 0.90 | KDM4E (0.41) | HTR1AHTR7SSTR5KCNH2HTR2B | |
| SCHEMBL2495479 | 0.85 | KMT2A (0.44) | SSTR5CHRNB4CHRNA3 | |
| SCHEMBL2498303 | 0.84 | CCR5 (0.41) | SSTR5DRD2DRD3DRD4ROCK2 | |
| SCHEMBL2494814 | 0.83 | SSTR4 (0.37) | KCNH2ROCK2ROCK1SSTR4GPR6 | |
| SCHEMBL2494741 | 0.83 | EPHX2 (0.40) | SSTR5KCNH2ROCK2ROCK1SSTR4 | |
| Benzoic Acid SCHEMBL2491786 | 0.75 | KDM4E (0.49) | SSTR5 | |
| SCHEMBL6790944 | 0.72 | MAPT (0.32) | KCNH2MAPT | |
| SCHEMBL13428738 | 0.71 | SIGMAR1 (0.54) | — | |
| SCHEMBL13428744 | 0.70 | CHRNB2 (0.63) | DRD4 | |
| SCHEMBL27643123 | 0.69 | GNAI3 (0.39) | DRD2DRD3DRD4CHRNB4CHRNA3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8030502-B2 | Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects | THERAVANCE, INC. (US) | 2011-10-04 | — | — | 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 |
| EP-1556372-A2 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| US-20040122014-A1 | Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-06-24 | — | — | US | disclosed |
| WO-2004041806-A2 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2004-05-21 | — | — | 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-20040122014-A1 | Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects | CHRM2, CHRM1, CHRM3 | HTR1A 219/4885HTR7 271/4885SSTR5 245/4885 |
| US-20080091034-A1 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | CHRM5, CHRM1, CHRM3 | HTR1A 70/4885HTR7 196/4885SSTR5 301/4885 |
“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.