Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2153275 | 0.89 | BRD4 (0.43) | BRD4KMT2ACHRNB2CHRNA4CHRNB4 | |
| SCHEMBL15565329 | 0.83 | KMT2A (0.36) | SMN1; SMN2KMT2ACCR2OR51E2L3MBTL1 | |
| SCHEMBL1198241 | 0.80 | KMT2A (0.41) | SMN1; SMN2KMT2ACCR2OR51E2L3MBTL1 | |
| SCHEMBL22279768 | 0.78 | BRD4 (0.46) | BRD4KMT2ACHRNB2CHRNA4CHRNB4 | |
| SCHEMBL1026647 | 0.78 | BRD4 (0.46) | BRD4KMT2ACHRNB2CHRNA4CHRNB4 | |
| SCHEMBL28009406 | 0.78 | BRD4 (0.46) | BRD4KMT2ACHRNB2CHRNA4CHRNB4 | |
| Acetic Acid Methyl Ester SCHEMBL9151328 | 0.74 | BRD4 (0.42) | BRD4KMT2ACHRNB2CHRNA4CHRNB4 | |
| SCHEMBL11416871 | 0.74 | BRD4 (0.48) | BRD4KMT2ACHRNB2CHRNA4CHRNB4 | |
| SCHEMBL13406368 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2KMT2ACHRNB2CHRNA4CHRNB4 | |
| SCHEMBL3577499 | 0.73 | THRB (0.53) | BRD4SMN1; SMN2KMT2ACHRNB2CHRNA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632900-A2 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| US-20130203735-A1 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2013-08-08 | — | — | US | disclosed |
| US-20130203735-A1 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2013-08-08 | — | — | US | disclosed |
| WO-2012058128-A2 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2012058128-A2 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | 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-20130203735-A1 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | GRM5, GRIK5, GRM1 | BRD4 1177/4885SMN1; SMN2 2206/4885KMT2A 2543/4885 |
“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.