Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 5/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 5/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 5/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4015666 | 0.83 | PSEN1 (0.42) | NOTUMACHEDPP4DPP8DPP9 | |
| SCHEMBL29443104 | 0.81 | KMT2A (0.47) | NOTUMACHEDPP4DPP8DPP9 | |
| SCHEMBL1340597 | 0.81 | KMT2A (0.47) | NOTUMACHEDPP4DPP8DPP9 | |
| SCHEMBL9688904 | 0.79 | HSD17B1 (0.46) | ACHECA1CA2 | |
| SCHEMBL7123106 | 0.79 | NOTUM (0.41) | NOTUMACHEDPP4CA1CA2 | |
| SCHEMBL27725838 | 0.79 | NOTUM (0.37) | NOTUMACHEDPP4DPP8DPP9 | |
| SCHEMBL28381288 | 0.79 | SLC6A4 (0.42) | NOTUMACHEDPP4DPP8DPP9 | |
| SCHEMBL16595782 | 0.78 | HTR1D (0.38) | NOTUMACHEDPP4DPP8DPP9 | |
| SCHEMBL12048612 | 0.78 | PNMT (0.46) | ADRA2AADRA2BADRA2C | |
| SCHEMBL31637765 | 0.77 | CA1 (0.61) | HTR1DHTR1BPSEN1PSEN2APH1B |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456749-B1 | INDANE DERIVATIVES FOR USE AS INTERMEDIATES | DSM PHARMA CHEMICALS REGENSBURG GMBH (DE) | 2016-03-30 | — | — | EP | disclosed |
| US-8563766-B2 | Indane derivatives for use as intermediates | DSM PHARMA CHEMICALS (DE) | 2013-10-22 | — | — | US | disclosed |
| US-20120190881-A1 | INDANE DERIVATIVES FOR USE AS INTERMEDIATES | DSM PHARMA CHEMICALS (DE) | 2012-07-26 | — | — | US | disclosed |
| CN-102548951-A | Indane derivatives as intermediates | DSM PHARMA CHEMICALS REGENSBURG GMBH | 2012-07-04 | — | — | CN | disclosed |
| EP-2456749-A1 | INDANE DERIVATIVES FOR USE AS INTERMEDIATES | DSM Pharma Chemicals Regensburg GmbH (DE) | 2012-05-30 | — | — | EP | 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-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-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-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 |
| WO-2011009928-A1 | INDANE DERIVATIVES FOR USE AS INTERMEDIATES | DSM PHARMA CHEMICALS REGENSBURG GMBH (DE) | 2011-01-27 | — | — | WO | disclosed |
| US-7569584-B2 | 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. (US) | 2009-08-04 | — | — | US | disclosed |
| US-20080319013-A1 | 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) | 2008-12-25 | — | — | US | disclosed |
| US-20080221186-A1 | 4-(substituted cycloalkylmethyl) Imidazole-2-Thiones, 4-(substituted cycloalkenylmethyl) Imidazole-2-Thiones, 4-(substituted cycloalkylmethyl) Imidazol-2-Ones and 4-(substituted cycloalkenylmethyl) Imidazole-2-Ones and related compounds | CHOW KEN | 2008-09-11 | — | — | US | disclosed |
| US-20080097103-A1 | IMIDAZOLE-2-THIONES | CHOW KEN | 2008-04-24 | — | — | US | disclosed |
| US-20080091028-A1 | IMIDAZOLE-2-THIONES | ALLERGAN, INC. (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080070945-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. | 2008-03-20 | — | — | US | disclosed |
| US-7345077-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) | 2008-03-18 | — | — | US | disclosed |
| US-7323485-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) | 2008-01-29 | — | — | US | disclosed |
| US-7276522-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2007-10-02 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 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-20080097103-A1 | IMIDAZOLE-2-THIONES | ADRB2, ADRA2C, ADRA2B | NOTUM 3822/4885ACHE 526/4885DPP4 4273/4885 |
| US-20120190881-A1 | INDANE DERIVATIVES FOR USE AS INTERMEDIATES | CYP1A1, CYP1A2, CYP1B1 | NOTUM 2060/4885ACHE 876/4885DPP4 4497/4885 |
| US-20080091028-A1 | IMIDAZOLE-2-THIONES | ADRB2, ADRA2C, ADRA2B | NOTUM 3637/4885ACHE 818/4885DPP4 3671/4885 |
| US-20080319013-A1 | 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 | ADRB2, ADRA2C, ADRA2B | NOTUM 3037/4885ACHE 714/4885DPP4 2724/4885 |
| US-20080221186-A1 | 4-(substituted cycloalkylmethyl) Imidazole-2-Thiones, 4-(substituted cycloalkenylmethyl) Imidazole-2-Thiones, 4-(substituted cycloalkylmethyl) Imidazol-2-Ones and 4-(substituted cycloalkenylmethyl) Imidazole-2-Ones and related compounds | ADRB2, ADRA2C, ADRA2B | NOTUM 3466/4885ACHE 662/4885DPP4 3138/4885 |
| US-20080070945-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 | NOTUM 3320/4885ACHE 1722/4885DPP4 3171/4885 |
| 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 | NOTUM 3636/4885ACHE 325/4885DPP4 3386/4885 |
“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.