Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MLYCD | O95822 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3289762 | 1.00 | SPHK1 (0.49) | SPHK1CYP2C9ALDH1A1HPGDMAPT | |
| SCHEMBL7287722 | 0.84 | HAO1 (0.51) | ALDH1A1HPGDMAPTMLYCDLMNA | |
| SCHEMBL8578954 | 0.83 | ESR2 (0.53) | ALDH1A1HPGDMAPTMLYCDLMNA | |
| SCHEMBL5208230 | 0.77 | OPRD1 (0.54) | ALDH1A1HPGDMAPTMLYCDLMNA | |
| SCHEMBL5703500 | 0.76 | HPGD (0.73) | ALDH1A1HPGDMAPTMLYCDLMNA | |
| SCHEMBL3289949 | 0.76 | LMNA (0.54) | SPHK1CYP2C9ALDH1A1HPGDMAPT | |
| Hydrochloric Acid SCHEMBL6139939 | 0.75 | OPRD1 (0.53) | ALDH1A1HPGDMAPTMLYCDLMNA | |
| SCHEMBL28433038 | 0.75 | CYP2C9 (0.61) | SPHK1CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL3286771 | 0.75 | TSHR (0.46) | SPHK1CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL9482058 | 0.74 | OPRD1 (0.60) | OPRD1OPRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718646-B2 | Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2010-05-18 | — | — | US | disclosed |
| US-20080261949-A1 | ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether | SANOFI-AVENTIS (FR) | 2008-10-23 | — | — | US | disclosed |
| US-7419974-B2 | Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2008-09-02 | — | — | US | disclosed |
| US-7388031-B2 | Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2008-06-17 | — | — | US | disclosed |
| US-20070015745-A1 | Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | US | disclosed |
| US-20040053916-A1 | Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI (FR) | 2004-03-18 | — | — | 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 (3 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-20080261949-A1 | ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether | ADRB3, FFAR3, ADRB2 | SPHK1 793/4885CYP2C9 1589/4885ALDH1A1 2160/4885 |
| US-20070015745-A1 | Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same | C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R | SPHK1 790/4885CYP2C9 80/4885ALDH1A1 2256/4885 |
| US-20040053916-A1 | Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADRA2C, ADRA1A | SPHK1 1752/4885CYP2C9 193/4885ALDH1A1 794/4885 |
“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.