Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 8/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2438228 | 0.83 | PTGER1 (0.41) | COMTPTGER1MRGPRX4PTPN1CYP2C9 | |
| SCHEMBL2434599 | 0.82 | COMT (0.66) | COMTPTGER1MRGPRX4 | |
| SCHEMBL2468320 | 0.81 | COMT (0.49) | COMTPTGER1MRGPRX4PTPN1NR4A2 | |
| SCHEMBL2468322 | 0.80 | PTGER1 (0.43) | COMTPTGER1MRGPRX4PTPN1CYP2C9 | |
| SCHEMBL2432005 | 0.78 | COMT (0.51) | COMTPTGER1MRGPRX4PTPN1CYP2C9 | |
| SCHEMBL2467412 | 0.78 | COMT (0.61) | COMTPTGER1MRGPRX4L3MBTL1 | |
| SCHEMBL14827213 | 0.77 | BRD4 (0.40) | COMTPTGER1MRGPRX4 | |
| SCHEMBL2467487 | 0.77 | COMT (0.45) | COMTPTGER1MRGPRX4 | |
| SCHEMBL27890083 | 0.76 | PTGER1 (0.40) | COMTPTGER1MRGPRX4NPC1 | |
| SCHEMBL27890082 | 0.76 | PTGER1 (0.44) | COMTPTGER1MRGPRX4CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9399651-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | Merck, Sharp & Dohme Corp. (US) | 2016-07-26 | — | — | US | disclosed |
| WO-2015161283-A1 | TRICYCLIC LACTAMS FOR USE IN HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION | G1 THERAPEUTICS, INC. (US) | 2015-10-22 | — | — | WO | disclosed |
| US-20150299227-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | US | disclosed |
| US-9024032-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2015-05-05 | — | — | US | disclosed |
| US-20130084346-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-04-04 | — | — | US | disclosed |
| WO-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | 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 (2 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-20150299227-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | COMT 1/4885PTGER1 1145/4885MRGPRX4 4570/4885 |
| US-20130084346-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | COMT 1/4885PTGER1 1145/4885MRGPRX4 4570/4885 |
“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.