Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 4/20 | 0.50 |
| ▸ | MAP1LC3B | Q9GZQ8 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30228846 | 1.00 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL22687435 | 1.00 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL23240040 | 0.91 | PCSK9 (0.53) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL22687449 | 0.91 | PCSK9 (0.46) | PCSK9MAP1LC3BSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL20001096 | 0.91 | PCSK9 (0.46) | PCSK9MAP1LC3BSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL22687381 | 0.90 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL22687430 | 0.90 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL30228593 | 0.90 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL20000918 | 0.90 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL20001122 | 0.90 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3515891-B1 | SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS | MERCK SHARP & DOHME LLC (US) | 2023-03-08 | — | — | EP | disclosed |
| US-11008313-B2 | Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders | MERCK SHARP & DOHME CORP. (US) | 2021-05-18 | — | — | US | disclosed |
| US-11008313-B2 | Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders | MERCK SHARP & DOHME CORP. (US) | 2021-05-18 | — | — | US | disclosed |
| US-20200369657-A1 | SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS | MERCK SHARP & DOHME CORP. (US) | 2020-11-26 | — | — | US | disclosed |
| US-20200369657-A1 | SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS | MERCK SHARP & DOHME CORP. (US) | 2020-11-26 | — | — | US | disclosed |
| WO-2018057409-A1 | SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS | MERCK SHARP & DOHME CORP. (US) | 2018-03-29 | — | — | 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 (2 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-20200369657-A1 | SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS | PCSK9, PCSK7, LDLR | PCSK9 1/4885MAP1LC3B 2259/4885SMN1; SMN2 3649/4885 |
| US-11008313-B2 | Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders | PCSK9, PCSK7, LDLR | PCSK9 1/4885MAP1LC3B 2190/4885SMN1; SMN2 3561/4885 |
“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.