Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (1S,2R)-Phenylpropanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.80 |
| ▸ | LMNA | P02545 | 3/20 | 0.80 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.80 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.80 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | GMNN | O75496 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Phenylpropanolamine SCHEMBL1171525 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| Phenylpropanolamine SCHEMBL98589 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| Phenylpropanolamine SCHEMBL12022735 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| (1R,2S)-Phenylpropanolamine SCHEMBL152038 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| Phenylpropanolamine SCHEMBL98590 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| Phenylpropanolamine SCHEMBL125333 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| (1S,2R)-Phenylpropanolamine SCHEMBL26905 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| Phenylpropanolamine SCHEMBL11113727 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| Cathine SCHEMBL34132 | 0.89 | KDM4E (1.00) | KDM4ELMNAHIF1AADRA2CADRA2A | |
| (1S,2R)-Phenylpropanolamine SCHEMBL7776466 | 0.87 | KDM4E (0.95) | KDM4ELMNAHIF1AADRA2CADRA2A |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060258735-A1 | 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | MENG CHARLES Q | 2006-11-16 | — | — | US | claimed |
| EP-1330459-B1 | TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | UNIV EMORY (US) | 2006-08-02 | — | — | EP | claimed |
| US-7078431-B2 | 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | ATHEROGENICS, INC. (US) | 2006-07-18 | — | — | US | claimed |
| US-6777441-B2 | FOR THERAPY AND PROPHYLAXIS | EMORY UNIVERSITY | 2004-08-17 | — | — | US | claimed |
| US-20030236298-A1 | 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | ATHEROGENICS PHARMACEUTICALS, INC. | 2003-12-25 | — | — | US | claimed |
| US-6608101-B1 | Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; | ATHEROGENICS, INC. | 2003-08-19 | — | — | US | claimed |
| EP-1330448-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | Atherogenics, Inc. (US) | 2003-07-30 | — | — | EP | claimed |
| WO-2001098291-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | ATHEROGENICS, INC. (US) | 2001-12-27 | — | — | WO | claimed |
| US-8193249-B2 | Triptolide analogs for the treatment of autoimmune and inflammatory disorders | EMORY UNIVERSITY (US) | 2012-06-05 | — | — | US | disclosed |
| US-20110082149-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | CHELSEA THERAPEUTICS, INC. | 2011-04-07 | — | — | US | disclosed |
| US-20110081338-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | CHELSEA THERAPEUTICS, INC. | 2011-04-07 | — | — | US | disclosed |
| US-20100324133-A1 | Branched Diepoxide Compounds for the Treatment of Inflammatory Disorders | LIOTTA DENNIS C | 2010-12-23 | — | — | US | disclosed |
| US-7829708-B2 | Metabolically inert antifolates for treating disorders of abnormal cellular proliferation and inflammation | CHELSEA THERAPEUTICS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| EP-2240460-A2 | BRANCHED DIEPOXIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Emory University (US) | 2010-10-20 | — | — | EP | disclosed |
| EP-1330459-A2 | TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2003-07-30 | — | — | EP | disclosed |
| WO-2003053368-A2 | CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES | ATHEROGENICS, INC. (US) | 2003-07-03 | — | — | WO | disclosed |
| WO-2003053359-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPYN-1-ONES AND THEIR USE TO TREAT DISORDERS | ATHEROGENICS, INC. (US) | 2003-07-03 | — | — | WO | disclosed |
| US-20030027806-A1 | Triptolide analogs for the treatment of autoimmune and inflammatory disorders | EMORY UNIVERSITY | 2003-02-06 | — | — | US | disclosed |
| WO-2002028862-A2 | TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2002-04-11 | — | — | WO | disclosed |
| WO-2001098291-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | ATHEROGENICS, INC. (US) | 2001-12-27 | — | — | 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 (6 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-20100324133-A1 | Branched Diepoxide Compounds for the Treatment of Inflammatory Disorders | HPGDS, LTB4R2, TNF | ADRA1A 3844/4885KDM4E 2330/4885LMNA 3776/4885 |
| US-20110081338-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | DHFR, MTHFD1, MTHFD2 | ADRA1A 4098/4885KDM4E 3180/4885LMNA 4658/4885 |
| US-20110082149-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | DHFR, MTHFD1, MTHFD2 | ADRA1A 4098/4885KDM4E 3180/4885LMNA 4658/4885 |
| US-20030027806-A1 | Triptolide analogs for the treatment of autoimmune and inflammatory disorders | SSB, ENPP2, NOD1 | ADRA1A 4006/4885KDM4E 1595/4885LMNA 3758/4885 |
| US-20030236298-A1 | 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | VCAM1, ICAM1, ITGB1 | ADRA1A 91/4885KDM4E 4395/4885LMNA 2238/4885 |
| US-20060258735-A1 | 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | VCAM1, ICAM1, ITGB1 | ADRA1A 91/4885KDM4E 4395/4885LMNA 2238/4885 |
“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.