Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 3/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.51 |
| ▸ | PGR | P06401 | 2/20 | 0.46 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5463800 | 0.87 | CMA1 (0.58) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL6490183 | 0.79 | ESR1 (0.50) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL6490185 | 0.79 | ESR1 (0.50) | PDE3BPDE3APGRCMA1KIF11 | |
| Cyanide SCHEMBL22130083 | 0.75 | PDE3B (0.43) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL28195083 | 0.73 | PDE3B (0.65) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL489133 | 0.72 | PDE3B (0.55) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL1848968 | 0.72 | PDE3B (0.55) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL7709830 | 0.72 | PDE3B (0.55) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL20106905 | 0.72 | PDE3B (0.55) | PDE3BPDE3APGRCMA1KIF11 | |
| SCHEMBL435577 | 0.72 | PDE3B (0.59) | PDE3BPDE3APGRCMA1KIF11 |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113544121-A | Heterocyclic derivative with beta 2 receptor agonistic and M receptor antagonistic activities and medical application thereof | 中国医药研究开发中心有限公司 | 2021-10-22 | — | — | CN | disclosed |
| CN-107074833-B | Having beta2Benzo ring derivatives with receptor agonistic and M3 receptor antagonistic activities and application thereof in medicine | 四川海思科制药有限公司 | 2021-05-25 | — | — | CN | disclosed |
| WO-2020244452-A1 | HETEROCYCLIC DERIVATIVE HAVING β2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2020-12-10 | — | — | WO | disclosed |
| WO-2020244452-A1 | HETEROCYCLIC DERIVATIVE HAVING β2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2020-12-10 | — | — | WO | disclosed |
| EP-3148995-B1 | 6-SUBSTITUTED-3H-1,3-BENZOTHIAZOL-2-ONE COMPOUNDS AS TARP-GAMMA 8 DEPENDENT AMPA RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2020-09-23 | — | — | EP | disclosed |
| EP-3148995-B1 | 6-SUBSTITUTED-3H-1,3-BENZOTHIAZOL-2-ONE COMPOUNDS AS TARP-GAMMA 8 DEPENDENT AMPA RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2020-09-23 | — | — | EP | disclosed |
| EP-2934594-B1 | CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . | ALMIRALL SA (ES) | 2019-09-04 | — | — | EP | disclosed |
| US-20190185461-A1 | BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF | SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2019-06-20 | — | — | US | disclosed |
| US-20190185461-A1 | BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF | SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2019-06-20 | — | — | US | disclosed |
| US-10300072-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2019-05-28 | — | — | US | disclosed |
| EP-2934594-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | Almirall, S.A. (ES) | 2015-10-28 | — | — | EP | disclosed |
| US-20140378421-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL SA (ES) | 2014-12-25 | — | — | US | disclosed |
| US-20140303127-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL SA (ES) | 2014-10-09 | — | — | US | disclosed |
| EP-2776425-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | disclosed |
| EP-2776426-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | disclosed |
| CN-104024245-A | Novel cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL SA | 2014-09-03 | — | — | CN | disclosed |
| CN-103998443-A | New cyclohexylamine derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL SA | 2014-08-20 | — | — | CN | disclosed |
| WO-2014095920-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | ALMIRALL, S.A. (ES) | 2014-06-26 | — | — | WO | disclosed |
| WO-2013068552-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | WO | disclosed |
| WO-2013068554-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | 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 (4 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-10300072-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ADRB2, CHRM3, CHRM2 | PDE3B 370/4885PDE3A 361/4885PGR 2083/4885 |
| US-20190185461-A1 | BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF | HCAR2, CHRM3, BDKRB2 | PDE3B 985/4885PDE3A 983/4885PGR 626/4885 |
| US-20140378421-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | PDE3B 496/4885PDE3A 487/4885PGR 2574/4885 |
| US-20140303127-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | PDE3B 448/4885PDE3A 420/4885PGR 2678/4885 |
“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.