Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Simpinicline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 known ✓ | P43681 | 2/20 | 0.40 |
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 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 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | PRKX | P51817 | 1/20 | 0.36 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Simpinicline SCHEMBL250743 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL1335095 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL1333778 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL1333776 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL19436720 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL1335091 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL23699063 | 0.98 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL23699064 | 0.98 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL23699061 | 0.98 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK | |
| Simpinicline SCHEMBL23699062 | 0.98 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHUK |
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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240226109-A1 | CO-THERAPY WITH VECTOR AND NICOTINIC AGONIST | Oyster Point Pharma, Inc. | 2024-07-11 | — | — | US | claimed |
| EP-4333855-A1 | CO-THERAPY WITH VECTOR AND NICOTINIC AGONIST | Oyster Point Pharma, Inc. (US) | 2024-03-13 | — | — | EP | claimed |
| US-20230295126-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | TARGACEPT, INC. | 2023-09-21 | — | — | US | claimed |
| US-20230210861-A1 | LOCAL ADMINISTRATION OF NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS FOR THE INHIBITION OF CORONAVIRUS INFECTIONS | OYSTER POINT PHARMA INC. | 2023-07-06 | — | — | US | claimed |
| EP-4142734-A1 | LOCAL ADMINISTRATION OF NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS FOR THE INHIBITION OF CORONAVIRUS INFECTIONS | Oyster Point Pharma, Inc. (US) | 2023-03-08 | — | — | EP | claimed |
| US-11542253-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | Oyster Point Pharma, Inc. (US) | 2023-01-03 | — | — | US | claimed |
| EP-3970724-A1 | METHODS OF TREATING OCULAR CONDITIONS | Oyster Point Pharma, Inc. (US) | 2022-03-23 | — | — | EP | claimed |
| US-20210371401-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | OYSTER POINT PHARMA INC. | 2021-12-02 | — | — | US | claimed |
| WO-2021222230-A1 | LOCAL ADMINISTRATION OF NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS FOR THE INHIBITION OF CORONAVIRUS INFECTIONS | Oyster Point Pharma, Inc. (US) | 2021-11-04 | — | — | WO | claimed |
| EP-3439661-B1 | METHODS OF TREATING OCULAR CONDITIONS | OYSTER POINT PHARMA INC (US) | 2021-08-04 | — | — | EP | claimed |
| WO-2010147938-A2 | REVERSAL OF L-DOPA-INDUCED DYSKINESIA BY NEURONAL NICOTINIC RECEPTOR LIGANDS | TARGACEPT, INC. (US) | 2010-12-23 | — | — | WO | claimed |
| WO-2010065443-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-(PYRROLIDIN-3-YLVINYL)PYRIMIDINE | TARGACEPT, INC. (US) | 2010-06-10 | — | — | WO | claimed |
| 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 |
| JP-2006519868-A | — | — | 2006-08-31 | — | — | JP | claimed |
| US-7098331-B2 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2006-08-29 | — | — | US | claimed |
| US-20060094732-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | SCHMITT JEFFREY D | 2006-05-04 | — | — | US | claimed |
| EP-1601670-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | Targacept Inc. (US) | 2005-12-07 | — | — | EP | claimed |
| WO-2004078752-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT INC. (US) | 2004-09-16 | — | — | WO | claimed |
| US-20040176348-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | AVENTIS PHARMA S.A. | 2004-09-09 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 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 | CHRNB2 7/4885CHRNA4 10/4885CHRNB4 15/4885 |
| US-20210371401-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | CHRNB2 4416/4885CHRNA4 4059/4885CHRNB4 4192/4885 |
| US-20060094732-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | CHRNA5, OPRK1, CHRNA6 | CHRNB2 7/4885CHRNA4 10/4885CHRNB4 15/4885 |
| US-20230295126-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | CHRNB2 4416/4885CHRNA4 4059/4885CHRNB4 4192/4885 |
| US-20230210861-A1 | LOCAL ADMINISTRATION OF NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS FOR THE INHIBITION OF CORONAVIRUS INFECTIONS | CHRM3, CHRNG, CHRNA2 | CHRNB2 4/4885CHRNA4 12/4885CHRNB4 18/4885 |
| US-20240226109-A1 | CO-THERAPY WITH VECTOR AND NICOTINIC AGONIST | CHRNA7, CHRNA1, CHRNE | CHRNB2 16/4885CHRNA4 8/4885CHRNB4 15/4885 |
| US-11542253-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | DPYD, DHPS, NUDT5 | CHRNB2 4416/4885CHRNA4 4059/4885CHRNB4 4192/4885 |
“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.