Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Asimadoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 3/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 1/20 | 1.00 |
| ▸ | OPRD1 | P41143 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Asimadoline SCHEMBL155020 | 1.00 | OPRK1 (1.00) | OPRK1OPRM1OPRD1CYP2D6 | |
| Asimadoline SCHEMBL7721982 | 1.00 | OPRK1 (1.00) | OPRK1OPRM1OPRD1CYP2D6 | |
| Asimadoline SCHEMBL8717354 | 1.00 | OPRK1 (1.00) | OPRK1OPRM1OPRD1CYP2D6 | |
| Asimadoline SCHEMBL6923822 | 1.00 | OPRK1 (1.00) | OPRK1OPRM1OPRD1CYP2D6 | |
| Asimadoline SCHEMBL13639176 | 1.00 | OPRK1 (1.00) | OPRK1OPRM1OPRD1CYP2D6 | |
| Asimadoline SCHEMBL26923202 | 0.99 | OPRK1 (0.98) | OPRK1OPRM1OPRD1CYP2D6 | |
| Asimadoline SCHEMBL1179586 | 0.99 | OPRK1 (0.98) | OPRK1OPRM1OPRD1CYP2D6 | |
| Asimadoline SCHEMBL8011656 | 0.99 | OPRK1 (0.98) | OPRK1OPRM1OPRD1CYP2D6 | |
| SCHEMBL8720266 | 0.94 | OPRK1 (0.89) | OPRK1OPRM1OPRD1CYP2D6 | |
| SCHEMBL9015325 | 0.94 | OPRK1 (0.89) | OPRK1OPRM1OPRD1CYP2D6 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1073634-B1 | METHOD FOR PRODUCING ENANTIOMERICALLY PURE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 2005-08-31 | — | — | EP | claimed |
| US-6344566-B1 | AMIDATION AND REDUCTION AND CONVERSION WITH ACID; ASIMADOLINE | MERCK PATENT GMBH (DE) | 2002-02-05 | — | — | US | claimed |
| US-20150272927-A1 | METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS | UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION | 2015-10-01 | — | — | US | disclosed |
| US-20150272927-A1 | METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS | UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION | 2015-10-01 | — | — | US | disclosed |
| EP-1607090-B1 | Asimadoline for the treatment of irritable bowel syndrome | TIOGA PHARMACEUTICALS INC (US) | 2011-10-12 | — | — | EP | disclosed |
| CN-1310884-C | Process for the preparation of enantiomerically pure N-methyl-N- [ (1S) -1-phenyl-2- ((3S) -3-hydroxypyrrolidin-1-yl) ethyl ] -2, 2-diphenylacetamide | MERCK PATENT GMBH (DE) | 2007-04-18 | — | — | CN | disclosed |
| CN-1846696-A | Method for producing enantiomer-free n-methyl-n- [(1s)-1-phenyl- 2-((3s)- 3-hydroxypyrrolidine- 1-yl)ethyl]- 2,2-diphenyl acetamide | MERCK PATENT GMBH (DE) | 2006-10-18 | — | — | CN | disclosed |
| EP-1607090-A1 | Asimadoline for the treatment of irritable bowel syndrome | MERCK PATENT GmbH (DE) | 2005-12-21 | — | — | EP | disclosed |
| EP-1607090-A1 | Asimadoline for the treatment of irritable bowel syndrome | MERCK PATENT GmbH (DE) | 2005-12-21 | — | — | EP | disclosed |
| EP-1073634-B1 | METHOD FOR PRODUCING ENANTIOMERICALLY PURE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 2005-08-31 | — | — | EP | disclosed |
| EP-1073634-B1 | METHOD FOR PRODUCING ENANTIOMERICALLY PURE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 2005-08-31 | — | — | EP | disclosed |
| US-6344566-B1 | AMIDATION AND REDUCTION AND CONVERSION WITH ACID; ASIMADOLINE | MERCK PATENT GMBH (DE) | 2002-02-05 | — | — | US | disclosed |
| US-6344566-B1 | AMIDATION AND REDUCTION AND CONVERSION WITH ACID; ASIMADOLINE | MERCK PATENT GMBH (DE) | 2002-02-05 | — | — | US | disclosed |
| CN-1297435-A | Process for the preparation of enantiomerically pure N-methyl-N- [ (1S) -1-phenyl-2- [ (3S) -3-hydroxypyrrolidin-1-yl) ethyl ] -2, 2-diphenylacetamide | MERCK PATENT GMBH (DE) | 2001-05-30 | — | — | CN | disclosed |
| EP-1073634-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GmbH (DE) | 2001-02-07 | — | — | EP | disclosed |
| EP-1073634-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GmbH (DE) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054298-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- [(1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |
| WO-1999054298-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- [(1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 1999-10-28 | — | — | 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 (1 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-20150272927-A1 | METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS | VASP, PDE3A, PDE2A | OPRK1 554/4885OPRM1 814/4885OPRD1 1577/4885 |
“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.