Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17540639 | 0.79 | SPR (0.46) | KDM4EALDH1A1 | |
| SCHEMBL28122354 | 0.78 | F7 (0.50) | ALDH1A1 | |
| SCHEMBL17540641 | 0.76 | HTT (0.44) | CTSBCTSSCTSKPTGESCTSL | |
| SCHEMBL29237625 | 0.72 | ALDH1A1 (0.46) | CTSBCTSSCTSKPTGESKDM4E | |
| SCHEMBL30967759 | 0.72 | ALDH1A1 (0.46) | CTSBCTSSCTSKPTGESKDM4E | |
| SCHEMBL8194223 | 0.68 | ALDH1A1 (0.47) | CTSBCTSSCTSKPTGESCYP1A2 | |
| SCHEMBL27752501 | 0.67 | NPC1 (0.50) | KDM4EALDH1A1MAPT | |
| SCHEMBL18367812 | 0.67 | ALDH1A1 (0.49) | CTSBCTSSCTSKPTGESCYP1A2 | |
| SCHEMBL22281036 | 0.67 | SRR (0.49) | CTSBCTSSCTSKPTGES | |
| SCHEMBL29237350 | 0.67 | ALDH1A1 (0.46) | CTSBCTSSCTSKPTGESKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-06-11 | — | — | US | disclosed |
| EP-3186250-B1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-02-08 | — | — | US | disclosed |
| US-9828374-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| EP-3186250-A1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. Hoffmann-La Roche AG (CH) | 2017-07-05 | — | — | EP | disclosed |
| US-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-05-25 | — | — | US | disclosed |
| WO-2016030306-A1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-03-03 | — | — | 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 (3 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-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HCRTR2, CYP11B2, CYP1A2 | CTSB 3509/4885CTSS 4106/4885CTSK 3663/4885 |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HCRTR2, HCRTR1, CYP11B2 | CTSB 3185/4885CTSS 3962/4885CTSK 3587/4885 |
| US-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HCRTR2, HCRTR1, CYP11B2 | CTSB 3185/4885CTSS 3962/4885CTSK 3587/4885 |
“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.