Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 5/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL18415183 | 0.79 | SIGMAR1 (0.45) | L3MBTL1RAB9ACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL14940624 | 0.79 | SIGMAR1 (0.43) | SIGMAR1CNR2 | |
| SCHEMBL28097724 | 0.78 | CNR2 (0.44) | SIGMAR1CNR2 | |
| SCHEMBL18415187 | 0.77 | ADRA2A (0.42) | SIGMAR1CNR2 | |
| SCHEMBL14940388 | 0.77 | SMN1; SMN2 (0.43) | L3MBTL1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL15823783 | 0.75 | SIGMAR1 (0.38) | L3MBTL1SIGMAR1 | |
| SCHEMBL14940281 | 0.74 | ALDH1A1 (0.42) | L3MBTL1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL7019186 | 0.72 | RAB9A (0.62) | L3MBTL1RAB9ACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2768273 | 0.71 | SIGMAR1 (0.45) | SIGMAR1 | |
| SCHEMBL17288320 | 0.71 | NPC1 (0.40) | L3MBTL1RAB9ANPC1SMN1; SMN2TDP1 |
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 18 patents. 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 |
| 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 |
| US-10300072-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2019-05-28 | — | — | US | disclosed |
| US-20180015097-A1 | CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2018-01-18 | — | — | US | disclosed |
| US-9757383-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2017-09-12 | — | — | US | disclosed |
| US-9549934-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2017-01-24 | — | — | US | disclosed |
| US-20160318847-A1 | SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY | ACADIA PHARMACEUTICALS INC. | 2016-11-03 | — | — | US | disclosed |
| US-20160200718-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2016-07-14 | — | — | US | disclosed |
| EP-2776425-B1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL SA (ES) | 2016-06-01 | — | — | EP | disclosed |
| US-20160143915-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2016-05-26 | — | — | US | disclosed |
| US-9233108-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2016-01-12 | — | — | US | disclosed |
| US-20150306089-A9 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2015-10-29 | — | — | US | 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 |
| 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 (8 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 | L3MBTL1 2790/4885RAB9A 3333/4885CYP3A4 310/4885 |
| US-20150306089-A9 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | L3MBTL1 2827/4885RAB9A 3434/4885CYP3A4 424/4885 |
| US-20160318847-A1 | SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY | SLC6A4, HTR4, GPR34 | L3MBTL1 1939/4885RAB9A 1145/4885CYP3A4 278/4885 |
| US-20180015097-A1 | CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | L3MBTL1 2559/4885RAB9A 3522/4885CYP3A4 368/4885 |
| US-20160143915-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | L3MBTL1 2827/4885RAB9A 3433/4885CYP3A4 378/4885 |
| US-20160200718-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | L3MBTL1 2827/4885RAB9A 3433/4885CYP3A4 378/4885 |
| US-20140378421-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | L3MBTL1 2827/4885RAB9A 3434/4885CYP3A4 424/4885 |
| US-20140303127-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | L3MBTL1 2745/4885RAB9A 3325/4885CYP3A4 428/4885 |
“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.