Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bitopertin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 known ✓ | P48067 | 20/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 7/20 | 1.00 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.86 |
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 | |
|---|---|---|---|---|
| Bitopertin SCHEMBL562490 | 1.00 | SLC6A9 (1.00) | SLC6A9KCNH2SLC6A5 | |
| Bitopertin SCHEMBL29985866 | 1.00 | SLC6A9 (1.00) | SLC6A9KCNH2SLC6A5 | |
| Bitopertin SCHEMBL29363611 | 1.00 | SLC6A9 (1.00) | SLC6A9KCNH2SLC6A5 | |
| Bitopertin SCHEMBL561853 | 1.00 | SLC6A9 (1.00) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL12172477 | 0.94 | SLC6A9 (0.88) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL4424343 | 0.93 | SLC6A9 (0.87) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL562102 | 0.91 | SLC6A9 (1.00) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL8195740 | 0.91 | SLC6A9 (1.00) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL18502986 | 0.91 | SLC6A9 (0.83) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5042089 | 0.88 | SLC6A9 (1.00) | SLC6A9KCNH2SLC6A5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130197225-A1 | New Solid Forms of [4-(3-Fluoro-5-Trifluoromethyl-Pyridin-2-Yl)-Piperazin-1-Yl-[5-Methanesulfonyl-2-((S)-2,2,2-Trifluoro-1-Methyl-Ethoxy)-Phenyl]Methanone | HOFFMANN-LA ROCHE INC. (US) | 2013-08-01 | — | — | US | disclosed |
| US-20120309969-A1 | SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE | BUBENDORF ANDRE (FR) | 2012-12-06 | — | — | US | disclosed |
| US-20100311971-A1 | SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE | BUBENDORF ANDRE | 2010-12-09 | — | — | US | disclosed |
| US-20080214561-A1 | SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE | HOFFMANN-LA ROCHE, INC. | 2008-09-04 | — | — | 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 (4 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-20100311971-A1 | SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE | SNCA, PSEN2, ACHE | SLC6A9 3658/4885KCNH2 165/4885SLC6A5 1095/4885 |
| US-20130197225-A1 | New Solid Forms of [4-(3-Fluoro-5-Trifluoromethyl-Pyridin-2-Yl)-Piperazin-1-Yl-[5-Methanesulfonyl-2-((S)-2,2,2-Trifluoro-1-Methyl-Ethoxy)-Phenyl]Methanone | PSEN2, SNCA, ACHE | SLC6A9 3785/4885KCNH2 177/4885SLC6A5 1153/4885 |
| US-20080214561-A1 | SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE | SNCA, PSEN2, ACHE | SLC6A9 3658/4885KCNH2 165/4885SLC6A5 1095/4885 |
| US-20120309969-A1 | SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE | SNCA, PSEN2, ACHE | SLC6A9 3658/4885KCNH2 165/4885SLC6A5 1095/4885 |
“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.