Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3265911 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL763899 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL3265910 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL6866945 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL752474 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL2155095 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL3895796 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL2322090 | 1.00 | PRSS1 (0.46) | PRSS1PRSS2PRSS3CES2CES1 | |
| Hydrochloric Acid SCHEMBL4260638 | 0.99 | PRSS1 (0.45) | PRSS1PRSS2PRSS3CES2CES1 | |
| Hydrochloric Acid SCHEMBL670429 | 0.99 | PRSS1 (0.45) | PRSS1PRSS2PRSS3CES2CES1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633697-B1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-03-11 | — | — | EP | claimed |
| US-7417170-B2 | Process for the preparation of substituted 3-aryl-butylamine compounds | GRUENENTHAL GMBH (DE) | 2008-08-26 | — | — | US | claimed |
| US-20060194988-A1 | Process for the preparation of substitued 3-aryl-butylamine compounds | GRUENENTHAL GMBH | 2006-08-31 | — | — | US | claimed |
| EP-1633697-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS | Grünenthal GmbH (DE) | 2006-03-15 | — | — | EP | claimed |
| WO-2004108658-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS | Grünenthal GmbH (DE) | 2004-12-16 | — | — | WO | claimed |
| EP-2606030-B1 | PROCESS FOR THE PREPARATION OF TAPENTADOL | INDOCO REMEDIES LTD (IN) | 2016-05-18 | — | — | EP | disclosed |
| US-8704002-B2 | Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)-amine compounds by heterogeneous catalysis | Grünenthal GmbH (DE) | 2014-04-22 | — | — | US | disclosed |
| US-20130060065-A1 | Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis | GRUENENTHAL GMBH (DE) | 2013-03-07 | — | — | US | disclosed |
| EP-1636169-B1 | METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS | GRUENENTHAL GMBH (DE) | 2010-06-02 | — | — | EP | disclosed |
| EP-1633697-B1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-03-11 | — | — | EP | disclosed |
| US-7417170-B2 | Process for the preparation of substituted 3-aryl-butylamine compounds | GRUENENTHAL GMBH (DE) | 2008-08-26 | — | — | US | disclosed |
| US-20060194988-A1 | Process for the preparation of substitued 3-aryl-butylamine compounds | GRUENENTHAL GMBH | 2006-08-31 | — | — | US | disclosed |
| US-20060167318-A1 | Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis | GRUENENTHAL GMBH (DE) | 2006-07-27 | — | — | US | disclosed |
| EP-1636169-A1 | METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS | Grünenthal GmbH (DE) | 2006-03-22 | — | — | EP | disclosed |
| EP-1633697-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS | Grünenthal GmbH (DE) | 2006-03-15 | — | — | EP | disclosed |
| WO-2005000788-A1 | METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS | Grünenthal GmbH (DE) | 2005-01-06 | — | — | WO | disclosed |
| WO-2004108658-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS | Grünenthal GmbH (DE) | 2004-12-16 | — | — | 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 (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-20060167318-A1 | Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis | BRD2, BBOX1, BRD1 | PRSS1 2728/4885PRSS2 1543/4885PRSS3 2572/4885 |
| US-20130060065-A1 | Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis | BRD2, BBOX1, BRD1 | PRSS1 2728/4885PRSS2 1543/4885PRSS3 2572/4885 |
| US-20060194988-A1 | Process for the preparation of substitued 3-aryl-butylamine compounds | BRD3, TYR, BBOX1 | PRSS1 2976/4885PRSS2 2842/4885PRSS3 1268/4885 |
“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.