Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | HTR3A | P46098 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5925542 | 0.96 | GAA (0.67) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL19554259 | 0.88 | HTR4 (0.55) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL26238952 | 0.88 | HTR4 (0.55) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL6584127 | 0.87 | HTR4 (0.53) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL1964834 | 0.87 | HTR4 (0.53) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| Hydrochloric Acid SCHEMBL21296436 | 0.87 | HTR4 (0.54) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL3615833 | 0.86 | KMT2A (0.54) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL9117538 | 0.84 | HTR4 (0.73) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL384749 | 0.84 | GAA (1.00) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL11311943 | 0.84 | HTR4 (0.51) | GAAHTR4CYP3A4CYP2D6HTR3A |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | claimed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | claimed |
| 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-9643961-B2 | Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2017-05-09 | — | — | US | disclosed |
| US-9518050-B2 | Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL, S.A. (ES) | 2016-12-13 | — | — | 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 |
| US-20150329535-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | ALMIRALL, S.A. (ES) | 2015-11-19 | — | — | 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 |
| 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 |
| EP-2386555-A1 | New cyclohexylamine derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities | Almirall, S.A. (ES) | 2011-11-16 | — | — | EP | disclosed |
| US-20110254356-A1 | Wheel Bearing Apparatus Incorporated With A Wheel Speed Detecting Apparatus | NTN CORPORATION (JP) | 2011-10-20 | — | — | US | disclosed |
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | disclosed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | 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-20160264557-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | GAA 3653/4885HTR4 174/4885CYP3A4 378/4885 |
| US-20150329535-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | CHRM3, CHRM2, ADRB2 | GAA 3174/4885HTR4 585/4885CYP3A4 449/4885 |
| US-20130281415-A9 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | GAA 3174/4885HTR4 187/4885CYP3A4 428/4885 |
| US-20130053359-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | GAA 3262/4885HTR4 191/4885CYP3A4 503/4885 |
“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.