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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PADI4 | Q9UM07 | 5/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 SCHEMBL1333724 | 1.00 | ALDH1A1 (0.45) | ALDH1A1LMNAPADI4CYP2C19TSHR | |
| Simpinicline SCHEMBL30187998 | 0.81 | CHRNB2 (0.35) | PADI4 | |
| Simpinicline SCHEMBL29521894 | 0.79 | PADI4 (0.34) | PADI4TSHR | |
| Simpinicline SCHEMBL19436720 | 0.79 | CHRNB2 (0.40) | — | |
| Simpinicline SCHEMBL1335095 | 0.79 | CHRNB2 (0.40) | — | |
| Simpinicline SCHEMBL1333776 | 0.79 | CHRNB2 (0.40) | — | |
| Simpinicline SCHEMBL1333778 | 0.79 | CHRNB2 (0.40) | — | |
| Simpinicline SCHEMBL250744 | 0.79 | CHRNB2 (0.40) | — | |
| Simpinicline SCHEMBL1335091 | 0.79 | CHRNB2 (0.40) | — | |
| Simpinicline SCHEMBL250743 | 0.79 | CHRNB2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230295126-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | TARGACEPT, INC. | 2023-09-21 | — | — | US | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| US-10919879-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | Oyster Point Pharma, Inc. (US) | 2021-02-16 | — | — | US | disclosed |
| US-20200207740-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | OYSTER POINT PHARMA INC. | 2020-07-02 | — | — | US | disclosed |
| EP-3279195-B1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | OYSTER POINT PHARMA INC (US) | 2020-07-01 | — | — | EP | disclosed |
| US-10421745-B2 | Salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | Oyster Point Pharma, Inc. (US) | 2019-09-24 | — | — | US | disclosed |
| US-20190071428-A1 | NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | OYSTER POINT PHARMA INC. | 2019-03-07 | — | — | US | disclosed |
| US-9981949-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | Oyster Point Pharma, Inc. (US) | 2018-05-29 | — | — | US | disclosed |
| EP-3279195-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-(PYRROLIDIN-3-YLVINYL)PYRIMIDINE | Oyster Point Pharma, Inc. (US) | 2018-02-07 | — | — | EP | disclosed |
| US-20160046609-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE | CATALYST BIOSCIENCES, INC. | 2016-02-18 | — | — | US | disclosed |
| US-9145396-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3ylvinyl)pyrimidine | TARGACEPT, INC. (US) | 2015-09-29 | — | — | US | disclosed |
| US-20140066460-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE | TARGACEPT, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-8604191-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3YLVINYL)pyrimidine | TARGACEPT, INC. (US) | 2013-12-10 | — | — | US | disclosed |
| US-20130237550-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION | TARGACEPT, INC. (US) | 2013-09-12 | — | — | US | disclosed |
| EP-2544690-A2 | ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION | Targacept Inc. (US) | 2013-01-16 | — | — | EP | disclosed |
| US-20110281895-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE | TARGACEPT, INC. (US) | 2011-11-17 | — | — | US | disclosed |
| WO-2011112428-A2 | ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION | TARGACEPT, INC. (US) | 2011-09-15 | — | — | WO | disclosed |
| EP-2364307-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-(PYRROLIDIN-3-YLVINYL)PYRIMIDINE | Targacept Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010065443-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-(PYRROLIDIN-3-YLVINYL)PYRIMIDINE | TARGACEPT, INC. (US) | 2010-06-10 | — | — | 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 (11 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-20210371401-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | ALDH1A1 2295/4885LMNA 4564/4885PADI4 1491/4885 |
| US-20140066460-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | ALDH1A1 2248/4885LMNA 4534/4885PADI4 1622/4885 |
| US-10919879-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | DPYD, DHPS, NUDT5 | ALDH1A1 2295/4885LMNA 4564/4885PADI4 1491/4885 |
| US-20200207740-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | ALDH1A1 2295/4885LMNA 4564/4885PADI4 1491/4885 |
| US-20160046609-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | ALDH1A1 2248/4885LMNA 4534/4885PADI4 1622/4885 |
| US-20230295126-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | ALDH1A1 2295/4885LMNA 4564/4885PADI4 1491/4885 |
| US-20190071428-A1 | NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3-YLVINYL)PYRIMIDINE | DPYD, SLC6A7, SLC6A5 | ALDH1A1 1805/4885LMNA 4568/4885PADI4 1604/4885 |
| US-10421745-B2 | Salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | DPYD, SLC6A7, NUDT5 | ALDH1A1 1893/4885LMNA 4370/4885PADI4 1644/4885 |
| US-20110281895-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE | DPYD, DHPS, NUDT5 | ALDH1A1 2050/4885LMNA 4463/4885PADI4 1678/4885 |
| US-11542253-B2 | Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine | DPYD, DHPS, NUDT5 | ALDH1A1 2295/4885LMNA 4564/4885PADI4 1491/4885 |
| US-20130237550-A1 | ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION | SLC10A2, MLNR, VIP | ALDH1A1 1001/4885LMNA 4487/4885PADI4 3806/4885 |
“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.