Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | SUV39H2 | Q9H5I1 | 3/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL4693094 | 0.84 | PDE4A (0.46) | ALDH1A1KDM4EUSP2SUV39H2PDE4A | |
| SCHEMBL31412116 | 0.81 | MAPK8 (0.46) | ALDH1A1KDM4EUSP2MAPK8MAPK9 | |
| SCHEMBL12744313 | 0.80 | ADRB2 (0.35) | KDM4ESUV39H2GAAMAPTTSHR | |
| SCHEMBL82833 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KDM4EUSP2IMPDH2IMPDH1 | |
| SCHEMBL15624701 | 0.80 | PDE4A (0.52) | ALDH1A1KDM4EPDE4APDE4BPDE4C | |
| SCHEMBL13720176 | 0.77 | KDM4E (0.49) | ALDH1A1KDM4EUSP2IMPDH2IMPDH1 | |
| SCHEMBL14940362 | 0.77 | PDE4A (0.42) | ALDH1A1KDM4EUSP2SUV39H2PDE4A | |
| SCHEMBL31432532 | 0.77 | HTR2A (0.44) | ALDH1A1KDM4EUSP2SUV39H2PDE4A | |
| SCHEMBL2596574 | 0.74 | KDM4E (0.37) | ALDH1A1KDM4EUSP2SUV39H2MAPK8 | |
| SCHEMBL21996461 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4EUSP2IMPDH2IMPDH1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9643961-B2 | Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2017-05-09 | — | — | US | disclosed |
| EP-2569308-B1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL SA (ES) | 2016-11-23 | — | — | EP | disclosed |
| US-20160264557-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2016-09-15 | — | — | US | disclosed |
| US-9315463-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2016-04-19 | — | — | US | disclosed |
| CN-102892765-B | Cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL SA | 2015-04-29 | — | — | CN | disclosed |
| US-20130281415-A9 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-10-24 | — | — | US | disclosed |
| EP-2569308-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall S.A. (ES) | 2013-03-20 | — | — | EP | disclosed |
| US-20130053359-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | PRAT QUINONES MARIA (ES) | 2013-02-28 | — | — | US | disclosed |
| CN-102892765-A | Novel cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL SA | 2013-01-23 | — | — | CN | disclosed |
| WO-2011141180-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2011-11-17 | — | — | 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 (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-20160264557-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | ALDH1A1 1707/4885KDM4E 3592/4885USP2 1298/4885 |
| US-20130281415-A9 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | ALDH1A1 1849/4885KDM4E 3728/4885USP2 1259/4885 |
| US-20130053359-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | ALDH1A1 1932/4885KDM4E 3836/4885USP2 1301/4885 |
“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.