Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 10/20 | 0.55 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 3/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2487906 | 0.86 | CHRM1 (0.60) | CHRM1TOP2ATOP2BALDH1A1 | |
| SCHEMBL2487494 | 0.86 | CHRM1 (0.40) | CHRM1RIPK3SLC22A12METAP2ROCK2 | |
| SCHEMBL2486292 | 0.85 | CHRM1 (0.58) | CHRM1TOP2ATOP2BALDH1A1HTT | |
| SCHEMBL2486081 | 0.83 | CHRM1 (0.76) | CHRM1ALDH1A1HTT | |
| SCHEMBL2487845 | 0.82 | CHRM1 (0.57) | CHRM1ALDH1A1HTT | |
| SCHEMBL2486353 | 0.82 | CHRM1 (0.57) | CHRM1TOP2ATOP2BALDH1A1HTT | |
| SCHEMBL2487935 | 0.82 | CHRM1 (0.53) | CHRM1 | |
| SCHEMBL14308113 | 0.81 | CHRM1 (0.56) | CHRM1ALDH1A1HTT | |
| SCHEMBL2488265 | 0.81 | CHRM1 (0.58) | CHRM1ALDH1A1HTT | |
| SCHEMBL2487484 | 0.80 | CHRM1 (0.59) | CHRM1SLC22A12ALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8178667-B2 | Benzyl-substituted quinolone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-05-15 | — | — | US | claimed |
| EP-2037739-B1 | BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2011-10-26 | — | — | EP | claimed |
| US-20100009962-A1 | Benzyl-substituted quinolone m1 receptor positive allosteric modulators | MERCK SHARP & DOHME LLC | 2010-01-14 | — | — | US | claimed |
| US-8178667-B2 | Benzyl-substituted quinolone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-05-15 | — | — | US | disclosed |
| US-8178667-B2 | Benzyl-substituted quinolone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-05-15 | — | — | US | disclosed |
| US-8178667-B2 | Benzyl-substituted quinolone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-05-15 | — | — | US | disclosed |
| EP-2037739-B1 | BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2037739-B1 | BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20100009962-A1 | Benzyl-substituted quinolone m1 receptor positive allosteric modulators | MERCK SHARP & DOHME LLC | 2010-01-14 | — | — | US | disclosed |
| US-20100009962-A1 | Benzyl-substituted quinolone m1 receptor positive allosteric modulators | MERCK SHARP & DOHME LLC | 2010-01-14 | — | — | US | disclosed |
| US-20100009962-A1 | Benzyl-substituted quinolone m1 receptor positive allosteric modulators | MERCK SHARP & DOHME LLC | 2010-01-14 | — | — | US | disclosed |
| WO-2008002621-A2 | BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2008-01-03 | — | — | 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 (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-20100009962-A1 | Benzyl-substituted quinolone m1 receptor positive allosteric modulators | CHRM1, OPRL1, MTNR1A | CHRM1 1/4885RIPK3 3651/4885SLC22A12 3000/4885 |
“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.