Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.34 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2805368 | 0.91 | GRIN1 (0.34) | GRIN1GRIN2BBACE1CACNA1BCTSD | |
| SCHEMBL1850310 | 0.85 | BACE1 (0.38) | GRIN1GRIN2BBACE1CACNA1BCTSD | |
| SCHEMBL1853184 | 0.84 | BACE1 (0.32) | BACE1CTSD | |
| SCHEMBL3046601 | 0.82 | GRIN1 (0.39) | GRIN1GRIN2BBACE1CTSD | |
| SCHEMBL2807065 | 0.76 | BACE1 (0.36) | GRIN1GRIN2BBACE1CACNA1BJAK2 | |
| SCHEMBL12548673 | 0.76 | BACE1 (0.38) | BACE1CTSDBRD4 | |
| SCHEMBL12548419 | 0.76 | BACE1 (0.38) | GRIN1GRIN2BBACE1CACNA1BCTSD | |
| SCHEMBL8802389 | 0.76 | PIK3CD (0.34) | GRIN1GRIN2BBACE1CTSD | |
| SCHEMBL1950237 | 0.75 | BACE1 (0.38) | GRIN1GRIN2BBACE1CTSD | |
| SCHEMBL1951532 | 0.75 | BACE1 (0.37) | GRIN1GRIN2BBACE1CACNA1BCTSD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | US | claimed |
| EP-2323482-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | claimed |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | claimed |
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | US | disclosed |
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | US | disclosed |
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | 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-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | CACNA1D, TRPV1, CACNA1S | GRIN1 195/4885GRIN2B 132/4885BACE1 196/4885 |
“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.