Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL29414384 | 0.94 | ALDH1A1 (0.51) | SCN4AACHEALDH1A1POLBSIGMAR1 | |
| SCHEMBL20019720 | 0.93 | ACHE (0.57) | SCN4AACHEALDH1A1SIGMAR1DRD2 | |
| SCHEMBL1993388 | 0.93 | ACHE (0.57) | SCN4AACHEALDH1A1SIGMAR1DRD2 | |
| SCHEMBL690845 | 0.93 | ACHE (0.57) | SCN4AACHEALDH1A1SIGMAR1DRD2 | |
| SCHEMBL14018259 | 0.93 | ACHE (0.57) | SCN4AACHEALDH1A1SIGMAR1DRD2 | |
| SCHEMBL352022 | 0.93 | ACHE (0.57) | SCN4AACHEALDH1A1SIGMAR1DRD2 | |
| SCHEMBL20019719 | 0.93 | ACHE (0.57) | SCN4AACHEALDH1A1SIGMAR1DRD2 | |
| SCHEMBL12395260 | 0.93 | ACHE (0.57) | SCN4AACHEALDH1A1SIGMAR1DRD2 | |
| Hydrochloric Acid SCHEMBL22500017 | 0.92 | ACHE (0.55) | SCN4AACHEALDH1A1SIGMAR1BCHE | |
| Hydrochloric Acid SCHEMBL1847744 | 0.92 | ACHE (0.55) | SCN4AACHEALDH1A1SIGMAR1BCHE |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12227478-B2 | Processes for preparing (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine or a salt thereof and processes for preparing tofacitinib using the same | YUHAN CORPORATION (KR) | 2025-02-18 | — | — | US | claimed |
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | claimed |
| EP-3927689-B1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORP (KR) | 2024-01-24 | — | — | EP | claimed |
| US-20220144774-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORPORATION (KR) | 2022-05-12 | — | — | US | claimed |
| EP-3927689-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | Yuhan Corporation (KR) | 2021-12-29 | — | — | EP | claimed |
| WO-2020204647-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORPORATION (KR) | 2020-10-08 | — | — | WO | claimed |
| US-12227478-B2 | Processes for preparing (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine or a salt thereof and processes for preparing tofacitinib using the same | YUHAN CORPORATION (KR) | 2025-02-18 | — | — | US | disclosed |
| US-12227478-B2 | Processes for preparing (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine or a salt thereof and processes for preparing tofacitinib using the same | YUHAN CORPORATION (KR) | 2025-02-18 | — | — | US | disclosed |
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | disclosed |
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | disclosed |
| EP-3927689-B1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORP (KR) | 2024-01-24 | — | — | EP | disclosed |
| US-20220144774-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORPORATION (KR) | 2022-05-12 | — | — | US | disclosed |
| US-20220144774-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORPORATION (KR) | 2022-05-12 | — | — | US | disclosed |
| EP-3927689-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | Yuhan Corporation (KR) | 2021-12-29 | — | — | EP | disclosed |
| EP-3927689-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | Yuhan Corporation (KR) | 2021-12-29 | — | — | EP | disclosed |
| WO-2020204647-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORPORATION (KR) | 2020-10-08 | — | — | WO | disclosed |
| WO-2020204647-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | YUHAN CORPORATION (KR) | 2020-10-08 | — | — | 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-20220144774-A1 | PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME | JAK3, JAK1, JAK2 | SCN4A 869/4885ACHE 4595/4885ALDH1A1 2725/4885 |
| US-12227478-B2 | Processes for preparing (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine or a salt thereof and processes for preparing tofacitinib using the same | JAK3, JAK1, JAK2 | SCN4A 851/4885ACHE 4623/4885ALDH1A1 2837/4885 |
“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.