Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.54 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 3/20 | 0.51 |
| ▸ | BACE1 | P56817 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CD4 | P01730 | 1/20 | 0.46 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL5745819 | 1.00 | ALDH1A1 (0.57) | ALDH1A1SPHK1SPHK2SMN1; SMN2HTR6 | |
| SCHEMBL6982309 | 1.00 | ALDH1A1 (0.57) | ALDH1A1SPHK1SPHK2SMN1; SMN2HTR6 | |
| SCHEMBL5743307 | 0.93 | ALDH1A1 (0.69) | ALDH1A1SPHK1SPHK2SMN1; SMN2HTR6 | |
| SCHEMBL5744568 | 0.92 | SMN1; SMN2 (0.58) | ALDH1A1SMN1; SMN2HTR6ACHEBACE1 | |
| SCHEMBL5746062 | 0.91 | LMNA (0.53) | ALDH1A1SMN1; SMN2HTR6BCHELMNA | |
| SCHEMBL4062247 | 0.89 | SMN1; SMN2 (0.51) | ALDH1A1SPHK1SPHK2SMN1; SMN2HTR6 | |
| SCHEMBL6578701 | 0.87 | ALDH1A1 (0.51) | ALDH1A1SPHK1SPHK2SMN1; SMN2HTR6 | |
| SCHEMBL5743817 | 0.87 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2HTR6BCHEACHE | |
| SCHEMBL5743125 | 0.87 | ALDH1A1 (0.66) | ALDH1A1SPHK1SPHK2SMN1; SMN2BCHE | |
| SCHEMBL5744592 | 0.87 | ALDH1A1 (0.66) | ALDH1A1SPHK1SPHK2SMN1; SMN2BCHE |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1288198-B1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORP (JP) | 2006-12-20 | — | — | EP | disclosed |
| US-6992205-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2006-01-31 | — | — | US | disclosed |
| US-6864372-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2005-03-08 | — | — | US | disclosed |
| US-6794519-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2004-09-21 | — | — | US | disclosed |
| US-20030176713-A1 | Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base | KANEKA CORPORATION (JP) | 2003-09-18 | — | — | US | disclosed |
| US-20030176711-A1 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2003-09-18 | — | — | US | disclosed |
| EP-0934264-B1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER (US) | 2003-09-10 | — | — | EP | disclosed |
| US-20030162966-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORPORATION (JP) | 2003-08-28 | — | — | US | disclosed |
| EP-1288198-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORPORATION (JP) | 2003-03-05 | — | — | EP | disclosed |
| US-6313302-B2 | OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS | PFIZER INC. | 2001-11-06 | — | — | US | disclosed |
| US-6294557-B1 | ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. | PFIZER INC. | 2001-09-25 | — | — | US | disclosed |
| US-20010020024-A1 | Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists | ITO FUMITAKA (JP) | 2001-09-06 | — | — | US | disclosed |
| US-20010014683-A1 | Analgesics; side effect reduction | ITO FUMITAKA (JP) | 2001-08-16 | — | — | US | disclosed |
| US-20010011091-A1 | Analgesics | ITO FUMITAKA (JP) | 2001-08-02 | — | — | US | disclosed |
| US-20010009921-A1 | Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor | ITO FUMITAKA (JP) | 2001-07-26 | — | — | US | disclosed |
| US-20010008890-A1 | Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease | ITO FUMITAKA (JP) | 2001-07-19 | — | — | US | disclosed |
| US-6201007-B1 | OPIOID KAPPA RECEPTOR AGONISTS; ANALGESICS, ANESTHETICS, NEUROPROTECTIVE AND ANTIINFLAMMATORY AGENTS; STROKES, GASTROINTESTINAL DISORDERS | PFIZER INC. | 2001-03-13 | — | — | US | disclosed |
| CN-1237962-A | Pyrrolidinyl and pyrrolinyl ethylamine compounds as K agonists | PFIZER (US) | 1999-12-08 | — | — | CN | disclosed |
| EP-0934264-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998012177-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (JP) | 1998-03-26 | — | — | 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 (8 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-20030162966-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | TST, STS, SELENOI | OPRM1 2799/4885ALDH1A1 646/4885SPHK1 2449/4885 |
| US-20010009921-A1 | Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor | OPRL1, OPRD1, OPRK1 | OPRM1 4/4885ALDH1A1 842/4885SPHK1 3583/4885 |
| US-20010011091-A1 | Analgesics | OPRL1, OPRK1, OPRD1 | OPRM1 4/4885ALDH1A1 797/4885SPHK1 3581/4885 |
| US-20030176711-A1 | Process for the production of sulfonic esters | TST, STS, SELENOI | OPRM1 2799/4885ALDH1A1 646/4885SPHK1 2449/4885 |
| US-20010020024-A1 | Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists | OPRK1, OPRL1, OPRD1 | OPRM1 10/4885ALDH1A1 2841/4885SPHK1 1637/4885 |
| US-20010014683-A1 | Analgesics; side effect reduction | OPRL1, OPRK1, OPRD1 | OPRM1 4/4885ALDH1A1 851/4885SPHK1 2943/4885 |
| US-20030176713-A1 | Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base | BRAF, ADH1C, TST | OPRM1 1372/4885ALDH1A1 498/4885SPHK1 2959/4885 |
| US-20010008890-A1 | Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease | OPRL1, NAP1L1, OPRK1 | OPRM1 20/4885ALDH1A1 1095/4885SPHK1 2243/4885 |
“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.