Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12487912 | 0.90 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9CHRM4CHRM5 | |
| SCHEMBL121234 | 0.90 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9CHRM4CHRM5 | |
| SCHEMBL12525234 | 0.90 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9CHRM4CHRM5 | |
| SCHEMBL11055846 | 0.84 | CYP2C19 (0.48) | CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2 | |
| SCHEMBL4160841 | 0.81 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9CHRM4CHRM5 | |
| SCHEMBL15959071 | 0.81 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9CHRM4CHRM5 | |
| SCHEMBL18380911 | 0.79 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL11922655 | 0.77 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP2C9CHRM4CHRM5 | |
| SCHEMBL11922654 | 0.77 | SMN1; SMN2 (0.57) | CYP2C19CYP1A2CYP2C9CHRM4CHRM5 | |
| SCHEMBL13017394 | 0.75 | CYP2C19 (0.46) | CYP2C19SMN1; SMN2LMNAHIF1AESR2 |
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-8202857-B2 | 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-8202857-B2 | 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-8202857-B2 | 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-20100041637-A1 | 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | US | disclosed |
| US-20100041637-A1 | 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | US | disclosed |
| US-20100041637-A1 | 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | 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-20100041637-A1 | 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 | HSD11B1, HSD17B1, HSD3B1 | CYP2C19 136/4885CYP1A2 62/4885CYP2C9 183/4885 |
“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.