Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23160514 | 0.89 | CYP3A4 (0.44) | HRH3CYP3A4CYP1A2CYP2D6CHRM2 | |
| SCHEMBL19662033 | 0.89 | HRH3 (0.43) | HRH3SMN1; SMN2CHRM3KDM4E | |
| SCHEMBL17642398 | 0.84 | HRH3 (0.31) | HRH3 | |
| SCHEMBL1928461 | 0.82 | HRH3 (0.37) | HRH3 | |
| SCHEMBL27887924 | 0.81 | HRH3 (0.36) | HRH3 | |
| SCHEMBL28854797 | 0.81 | HRH3 (0.36) | HRH3 | |
| SCHEMBL25367137 | 0.80 | HRH3 (0.36) | HRH3 | |
| SCHEMBL25367141 | 0.80 | HRH3 (0.36) | HRH3 | |
| SCHEMBL27513596 | 0.75 | HRH3 (0.51) | HRH3CYP2D6CHRM3 | |
| SCHEMBL608203 | 0.75 | SMN1; SMN2 (0.51) | HRH3SMN1; SMN2CYP3A4CYP1A2CYP2D6 |
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-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2024-01-18 | — | — | US | disclosed |
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |
| EP-4217353-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | Ermium Therapeutics (FR) | 2023-08-02 | — | — | EP | disclosed |
| WO-2022064075-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2022-03-31 | — | — | WO | disclosed |
| US-7820825-B2 | N-substituted-azacyclylamines as histamine-3 antagonists | WYETH LLC (US) | 2010-10-26 | — | — | US | disclosed |
| US-20070219240-A1 | N-substituted-azacyclylamines as histamine-3 antagonists | WYETH (US) | 2007-09-20 | — | — | 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 (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-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | CXCR4, CXCR1, CXCL12 | HRH3 349/4885SMN1; SMN2 3965/4885CYP3A4 4526/4885 |
| US-20070219240-A1 | N-substituted-azacyclylamines as histamine-3 antagonists | HNMT, HRH4, HRH3 | HRH3 3/4885SMN1; SMN2 895/4885CYP3A4 2237/4885 |
“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.