Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | RXRG | P48443 | 2/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3287933 | 0.87 | ALDH1A1 (0.42) | HSD11B1MEN1KMT2A | |
| SCHEMBL28601901 | 0.83 | TSHR (0.38) | TRPM8NPC1RAB9A | |
| SCHEMBL7647058 | 0.74 | CACNA1B (0.44) | — | |
| SCHEMBL3294092 | 0.71 | ALDH1A1 (0.64) | MEN1KMT2A | |
| SCHEMBL3294089 | 0.71 | ALDH1A1 (0.64) | MEN1KMT2A | |
| SCHEMBL901209 | 0.71 | TSHR (0.57) | MRGPRX4SRD5A2NPC1RAB9A | |
| SCHEMBL901207 | 0.71 | TSHR (0.57) | MRGPRX4SRD5A2NPC1RAB9A | |
| SCHEMBL2321634 | 0.71 | TSHR (0.57) | MRGPRX4SRD5A2NPC1RAB9A | |
| SCHEMBL8391958 | 0.69 | CA1 (0.38) | MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4290507 | 0.69 | TSHR (0.55) | MRGPRX4SRD5A2NPC1RAB9A |
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 | MRGPRX4 347/4885NR4A1 186/4885NR4A2 338/4885 |
| 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 | MRGPRX4 441/4885NR4A1 583/4885NR4A2 1479/4885 |
| 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 | MRGPRX4 1387/4885NR4A1 323/4885NR4A2 1334/4885 |
“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.