Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16188381 | 1.00 | CYP2D6 (0.46) | CYP2D6KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL294299 | 1.00 | CYP2D6 (0.46) | CYP2D6KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL16198890 | 1.00 | CYP2D6 (0.46) | CYP2D6KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL294301 | 1.00 | CYP2D6 (0.46) | CYP2D6KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL9683882 | 0.83 | OPRM1 (0.48) | CYP2D6KMT2AMC4ROPRM1OPRD1 | |
| SCHEMBL7692500 | 0.82 | CYP2D6 (0.46) | CYP2D6KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL17114344 | 0.79 | KDM4E (0.46) | CYP2D6KMT2AMC4ROPRM1OPRD1 | |
| SCHEMBL17114345 | 0.79 | KDM4E (0.46) | CYP2D6KMT2AMC4ROPRM1OPRD1 | |
| SCHEMBL84798 | 0.79 | CYP2D6 (0.46) | CYP2D6KMT2AMC4ROPRM1OPRD1 | |
| SCHEMBL85400 | 0.79 | CYP2D6 (0.46) | CYP2D6KMT2AMC4ROPRM1OPRD1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8871950-B1 | Process for preparing (+)-polyoxamic acid | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KIST) (KR) | 2014-10-28 | — | — | US | disclosed |
| US-20120225881-A1 | METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | ALLERGAN, INC. | 2012-09-06 | — | — | US | disclosed |
| EP-2198864-B1 | Pharmaceutical compositions having an analgesic effect and containing 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino propionic acid amides or related compounds | ALLERGAN INC (US) | 2012-03-14 | — | — | EP | disclosed |
| US-20100190792-A1 | METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | ALLERGAN, INC | 2010-07-29 | — | — | US | disclosed |
| EP-2198864-A1 | Pharmaceutical compositions having an analgesic effect and containing 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino propionic acid amides or related compounds | Allergan, Inc. (US) | 2010-06-23 | — | — | EP | disclosed |
| EP-1841423-B1 | USE OF 1- BENZYL-1- HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS | ALLERGAN INC (US) | 2010-03-10 | — | — | EP | disclosed |
| US-7608739-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-10-27 | — | — | US | disclosed |
| US-7608739-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-10-27 | — | — | US | disclosed |
| US-20090088433-A1 | METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | ALLERGAN, INC. | 2009-04-02 | — | — | US | disclosed |
| US-20080234281-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-09-25 | — | — | US | disclosed |
| US-20080234281-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-09-25 | — | — | US | disclosed |
| WO-2008109287-A1 | METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| WO-2008011487-A2 | L-BENZYL-L-HYDR0XY-2, 3-DIAMIN0-PROPYL AMINES AND 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONICACID AMIDES FOR CHRONIC PAIN | ALLERGAN, INC. (US) | 2008-01-24 | — | — | 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-20090088433-A1 | METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | OPRL1, OPRK1, AADAT | CYP2D6 540/4885KMT2A 1681/4885CHRM2 574/4885 |
| US-20080234281-A1 | Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF18B | CYP2D6 4666/4885KMT2A 302/4885CHRM2 4747/4885 |
| US-20100190792-A1 | METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | SLC1A2, SLC1A1, GRIN2A | CYP2D6 1448/4885KMT2A 614/4885CHRM2 183/4885 |
| US-20120225881-A1 | METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | OPRK1, OPRL1, HRH2 | CYP2D6 721/4885KMT2A 2098/4885CHRM2 645/4885 |
“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.