Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 12/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1340369 | 0.82 | UBE2N (0.36) | — | |
| SCHEMBL1339127 | 0.82 | SLC6A4 (0.36) | ADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL1339546 | 0.80 | KDM4E (0.40) | PNMT | |
| SCHEMBL1337695 | 0.71 | PLAU (0.40) | — | |
| SCHEMBL1338980 | 0.69 | — | — | |
| SCHEMBL1339904 | 0.68 | PNMT (0.33) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL5071671 | 0.65 | PNMT (0.43) | PNMTADRA2AADRA2BADRA2CTDP2 | |
| SCHEMBL7551545 | 0.63 | PNMT (0.48) | PNMTADRA2AADRA2BADRA2CASIC3 | |
| SCHEMBL7551539 | 0.63 | PNMT (0.48) | PNMTADRA2AADRA2BADRA2CASIC3 | |
| SCHEMBL13227654 | 0.63 | PNMT (0.49) | PNMTADRA2AADRA2BADRA2CASIC3 |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-7960423-B2 | selective to alpha2B and/or alpha2C adrenergic receptors, minimal cardivascular and/or sedatory activity; pain | ALLERGAN, INC (US) | 2011-06-14 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| US-7091232-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2006-08-15 | — | — | US | disclosed |
| US-20060149072-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2- thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cyloalkenylmethyl) imidazol-2-ones and related compounds | CHOW KEN | 2006-07-06 | — | — | US | disclosed |
| US-20050267186-A1 | 4-(Substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | CHOW KEN | 2005-12-01 | — | — | US | disclosed |
| US-20050075366-A1 | 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same | ALLERGAN, INC. | 2005-04-07 | — | — | US | disclosed |
| EP-1507767-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| US-20040220402-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. | 2004-11-04 | — | — | US | disclosed |
| WO-2003099795-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2003-12-04 | — | — | 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 (5 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-20040220402-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ADRB2, ADRA2C, ADRB1 | PNMT 1869/4885ADRA2A 5/4885ADRA2B 4/4885 |
| US-20050267186-A1 | 4-(Substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ADRB2, ADRA2C, ADRA2A | PNMT 2018/4885ADRA2A 3/4885ADRA2B 4/4885 |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ADRA2A, ADRA2B, ADRB2 | PNMT 2078/4885ADRA2A 1/4885ADRA2B 2/4885 |
| US-20050075366-A1 | 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same | ADRB2, ADRA2C, ADRA2B | PNMT 1032/4885ADRA2A 4/4885ADRA2B 3/4885 |
| US-20060149072-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2- thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cyloalkenylmethyl) imidazol-2-ones and related compounds | ADRB2, ADRA2C, ADRA2B | PNMT 2519/4885ADRA2A 4/4885ADRA2B 3/4885 |
“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.