Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PRF1 | P14222 | 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 | |
|---|---|---|---|---|
| SCHEMBL2466707 | 0.89 | COMT (0.51) | COMTNOTUMCYP1A2PTGS2PDE3B | |
| SCHEMBL2467533 | 0.82 | COMT (0.57) | COMTNOTUMCYP1A2PTGS2PDE3B | |
| SCHEMBL14352982 | 0.80 | COMT (0.52) | COMTNOTUMCYP1A2PTGS2PDE3B | |
| SCHEMBL14352958 | 0.79 | COMT (0.48) | COMTNOTUMCYP1A2PTGS2PDE3B | |
| SCHEMBL2698021 | 0.72 | NOTUM (0.61) | COMTNOTUMCYP1A2PDE3BPDE3A | |
| SCHEMBL2469203 | 0.70 | ERCC1 (0.63) | COMTNOTUMCYP1A2PDE3BPDE3A | |
| SCHEMBL322688 | 0.69 | KIF11 (0.59) | COMTNOTUMCYP1A2KDR | |
| SCHEMBL2538297 | 0.68 | COMT (0.48) | COMTNOTUMCYP1A2PDE3BPDE3A | |
| SCHEMBL322131 | 0.67 | NOTUM (0.46) | COMTNOTUMCYP1A2PDE3BPDE3A | |
| SCHEMBL28260235 | 0.66 | CHUK (0.51) | COMTNOTUMCYP1A2KDM4EKDR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9309199-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2016-04-12 | — | — | US | claimed |
| EP-2542077-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | claimed |
| US-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-01-03 | — | — | US | claimed |
| WO-2011109261-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 | claimed |
| US-9309199-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2016-04-12 | — | — | US | disclosed |
| US-9309199-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2016-04-12 | — | — | US | disclosed |
| US-9309199-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-01-03 | — | — | US | disclosed |
| US-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-01-03 | — | — | US | disclosed |
| US-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-01-03 | — | — | US | 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 (1 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-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | COMT 1/4885NOTUM 1287/4885CYP1A2 130/4885 |
“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.