Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11035333 | 0.95 | MEN1 (0.40) | CYP1A2CYP2C9CYP2C19CA9ALDH1A1 | |
| SCHEMBL827474 | 0.73 | LTA4H (0.47) | CYP1A2CYP2C9CYP2C19CA9ALDH1A1 | |
| SCHEMBL3517259 | 0.72 | — | — | |
| SCHEMBL16005863 | 0.72 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL128069 | 0.71 | ELANE (0.40) | ALDH1A1LMNACA1CA2CETP | |
| SCHEMBL11249468 | 0.71 | L3MBTL1 (0.43) | ALDH1A1MAPTKDM4ETSHRPOLB | |
| SCHEMBL126289 | 0.71 | ALOX15 (0.41) | ALDH1A1LMNAMAPTKDM4EGAA | |
| SCHEMBL27911931 | 0.70 | MAPT (0.43) | CYP1A2CYP2C9CYP2C19CA9ALDH1A1 | |
| SCHEMBL6901164 | 0.70 | LMNA (0.40) | CYP1A2CYP2C9CYP2C19CA9ALDH1A1 | |
| SCHEMBL2433094 | 0.70 | MAOB (0.54) | LMNAMAPTL3MBTL1GAATDP1 |
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 7 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 |
| 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-8883773-B2 | Cephem compound having pseudo-catechol group | SHIONOGI & CO., LTD. (JP) | 2014-11-11 | — | — | 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 |
| US-20130079319-A1 | CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2013-03-28 | — | — | 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 (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-20130079319-A1 | CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP | CENPE, CCNE2, CEP170 | CYP1A2 1524/4885CYP2C9 1090/4885CYP2C19 1119/4885 |
| US-20150299227-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | CYP1A2 130/4885CYP2C9 328/4885CYP2C19 168/4885 |
| US-20130084346-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | CYP1A2 130/4885CYP2C9 328/4885CYP2C19 168/4885 |
“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.