Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 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 | |
|---|---|---|---|---|
| SCHEMBL25914755 | 0.84 | BCL2 (0.53) | BCL2PTGS2IDO1TAAR1NISCH | |
| SCHEMBL12531268 | 0.82 | BCL2 (0.59) | BCL2PTGS2IDO1MAOBTAAR1 | |
| SCHEMBL1337835 | 0.81 | BCL2 (0.41) | BCL2PTGS2IDO1MAOBTAAR1 | |
| SCHEMBL13099750 | 0.81 | BCL2 (0.50) | BCL2PTGS2IDO1TAAR1NISCH | |
| SCHEMBL22296375 | 0.81 | BCL2 (0.50) | BCL2PTGS2IDO1MAPTTAAR1 | |
| SCHEMBL18015843 | 0.80 | TAAR1 (0.55) | BCL2PTGS2PGRIDO1MAOB | |
| SCHEMBL257081 | 0.79 | TSHR (0.44) | MEN1MAPTKMT2ATAAR1RPA1 | |
| SCHEMBL5547358 | 0.79 | BCL2 (0.62) | BCL2PTGS2IDO1NISCHAGXT | |
| SCHEMBL29489424 | 0.79 | BCL2 (0.62) | BCL2PTGS2IDO1NISCHAGXT | |
| SCHEMBL13197413 | 0.78 | AGXT (0.61) | BCL2PTGS2IDO1TAAR1NISCH |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140243333-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF KANSAS (US) | 2014-08-28 | — | — | US | disclosed |
| US-8735391-B2 | Synthesis of functionalized octahydro-isoquinolin-1-one-8-carboxamides, octahydro-isoquinolin-1-one-8-carboxylic esters and analogs, and therapeutic methods | UNIVERSITY OF KANSAS (US) | 2014-05-27 | — | — | US | disclosed |
| US-8735391-B2 | Synthesis of functionalized octahydro-isoquinolin-1-one-8-carboxamides, octahydro-isoquinolin-1-one-8-carboxylic esters and analogs, and therapeutic methods | UNIVERSITY OF KANSAS (US) | 2014-05-27 | — | — | US | disclosed |
| US-20120135997-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND | SHIONOGI & CO., LTD. (JP) | 2012-05-31 | — | — | US | disclosed |
| US-20100256142-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF NORTH CAROLINA | 2010-10-07 | — | — | US | disclosed |
| WO-2010037050-A2 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF KANSAS (US) | 2010-04-01 | — | — | WO | disclosed |
| EP-1373257-B9 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2008-10-15 | — | — | EP | disclosed |
| EP-1373257-B1 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2007-11-28 | — | — | EP | 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-20120135997-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND | BACE1, STS, APP | BCL2 3398/4885PTGS2 3194/4885PGR 4052/4885 |
| US-20100256142-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | OPRM1, OPRK1, OPRL1 | BCL2 4503/4885PTGS2 1149/4885PGR 1625/4885 |
| US-20140243333-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | OPRM1, OPRK1, OPRD1 | BCL2 4490/4885PTGS2 1033/4885PGR 1103/4885 |
“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.