Known targets — ChEMBL curated mechanism
APH1AAPH1BNCSTNPSEN1PSEN2PSENEN
The experimentally established mechanism targets of Semagacestat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 known ✓ | P49768 | 19/20 | 0.98 |
| ▸ | PSEN2 known ✓ | P49810 | 19/20 | 0.98 |
| ▸ | APH1B known ✓ | Q8WW43 | 19/20 | 0.98 |
| ▸ | NCSTN known ✓ | Q92542 | 19/20 | 0.98 |
| ▸ | APH1A known ✓ | Q96BI3 | 19/20 | 0.98 |
| ▸ | PSENEN known ✓ | Q9NZ42 | 19/20 | 0.98 |
| ▸ | XIAP | P98170 | 1/20 | 0.68 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Semagacestat SCHEMBL30579757 | 1.00 | PSEN1 (0.98) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Semagacestat SCHEMBL13387771 | 0.99 | PSEN1 (1.00) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Semagacestat SCHEMBL29353755 | 0.99 | PSEN1 (1.00) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Semagacestat SCHEMBL14876852 | 0.99 | PSEN1 (1.00) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Semagacestat SCHEMBL417581 | 0.99 | PSEN1 (1.00) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Semagacestat SCHEMBL12050112 | 0.99 | PSEN1 (1.00) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL21577575 | 0.89 | PSEN1 (0.81) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL18301563 | 0.85 | PSEN1 (0.76) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL7849704 | 0.85 | XIAP (0.77) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL15207696 | 0.84 | PSEN1 (0.74) | PSEN1PSEN2APH1BNCSTNAPH1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8299059-B2 | Crystalline compound and a process for its preparation | ELI LILLY AND COMPANY (US) | 2012-10-30 | — | — | US | disclosed |
| US-20110105471-A1 | NOVEL CRYSTALLINE COMPOUND AND A PROCESS FOR ITS PREPARATION | ELI LILLY AND COMPANY (US) | 2011-05-05 | — | — | 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-20110105471-A1 | NOVEL CRYSTALLINE COMPOUND AND A PROCESS FOR ITS PREPARATION | CA2, CA4, CACNA1B | PSEN1 1910/4885PSEN2 894/4885APH1B 1042/4885 |
“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.