Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | PRKX | P51817 | 1/20 | 0.32 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | PRKG1 | Q13976 | 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 | |
|---|---|---|---|---|
| SCHEMBL1347957 | 1.00 | KHK (0.36) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL250743 | 0.89 | CHRNB2 (0.40) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL1333778 | 0.89 | CHRNB2 (0.40) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL1335091 | 0.89 | CHRNB2 (0.40) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL250744 | 0.89 | CHRNB2 (0.40) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL1333776 | 0.89 | CHRNB2 (0.40) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL1335095 | 0.89 | CHRNB2 (0.40) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL19436720 | 0.89 | CHRNB2 (0.40) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL23699062 | 0.88 | CHRNB2 (0.39) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Simpinicline SCHEMBL23699063 | 0.88 | CHRNB2 (0.39) | KHKCHRNB2CHRNB4CHRNA3CHRNA4 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008157365-A2 | VINYLAZACYCLOALKANES FOR TREATING NEUROPATHIC PAIN | TARGACEPT, INC. (US) | 2008-12-24 | — | — | WO | claimed |
| EP-1601670-B1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT INC (US) | 2008-05-07 | — | — | EP | claimed |
| US-7098331-B2 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2006-08-29 | — | — | US | claimed |
| US-20040176348-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | AVENTIS PHARMA S.A. | 2004-09-09 | — | — | US | claimed |
| US-20150164894-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. | 2015-06-18 | — | — | US | disclosed |
| US-20140107164-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-8633222-B2 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2014-01-21 | — | — | US | disclosed |
| US-8067443-B2 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2011-11-29 | — | — | US | disclosed |
| US-8063068-B2 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20110152293-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2011-06-23 | — | — | US | disclosed |
| US-20100267776-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-7714001-B2 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2010-05-11 | — | — | US | disclosed |
| WO-2008157365-A2 | VINYLAZACYCLOALKANES FOR TREATING NEUROPATHIC PAIN | TARGACEPT, INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| US-20080293778-A1 | Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof | TARGACEPT, INC. (US) | 2008-11-27 | — | — | US | disclosed |
| EP-1947100-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | Targacept, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| EP-1601670-B1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT INC (US) | 2008-05-07 | — | — | EP | disclosed |
| US-7098331-B2 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2006-08-29 | — | — | US | disclosed |
| EP-1601670-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | Targacept Inc. (US) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004078752-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT INC. (US) | 2004-09-16 | — | — | WO | disclosed |
| US-20040176348-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | AVENTIS PHARMA S.A. | 2004-09-09 | — | — | 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 (6 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-20040176348-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | CHRNA5, OPRK1, CHRNA6 | KHK 1070/4885CHRNB2 7/4885CHRNB4 15/4885 |
| US-20110152293-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | CHRNA5, OPRK1, CHRNA6 | KHK 1070/4885CHRNB2 7/4885CHRNB4 15/4885 |
| US-20140107164-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | CHRNA5, OPRK1, CHRNA6 | KHK 1070/4885CHRNB2 7/4885CHRNB4 15/4885 |
| US-20080293778-A1 | Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof | CHRNA5, OPRK1, CHRNA6 | KHK 1070/4885CHRNB2 7/4885CHRNB4 15/4885 |
| US-20150164894-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | CHRNA5, OPRK1, CHRNA6 | KHK 1070/4885CHRNB2 7/4885CHRNB4 15/4885 |
| US-20100267776-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | CHRNA5, OPRK1, CHRNA6 | KHK 1070/4885CHRNB2 7/4885CHRNB4 15/4885 |
“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.