Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.70 |
| ▸ | HTR1A | P08908 | 4/20 | 0.69 |
| ▸ | HTR7 | P34969 | 2/20 | 0.69 |
| ▸ | DRD2 | P14416 | 2/20 | 0.69 |
| ▸ | DRD3 | P35462 | 2/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.69 |
| ▸ | HRH1 | P35367 | 1/20 | 0.69 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HTR6 | P50406 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL734941 | 0.90 | HTR2A (0.85) | HTR2AHTR1AHTR7DRD2DRD3 | |
| SCHEMBL6465788 | 0.85 | HTR2A (0.88) | HTR2AHTR1ADRD2DRD3HTR6 | |
| SCHEMBL8872774 | 0.84 | BCHE (0.73) | HTR2AHTR1AHTR7DRD2DRD3 | |
| SCHEMBL735143 | 0.83 | HTR2A (0.78) | HTR2AHTR1ADRD2DRD3HTR6 | |
| SCHEMBL25295661 | 0.83 | HTR2A (1.00) | HTR2AHTR1ADRD2DRD3CYP2D6 | |
| SCHEMBL733629 | 0.83 | HTR2A (0.94) | HTR2AHTR1ADRD2DRD3CYP2D6 | |
| SCHEMBL29543272 | 0.83 | HTR2A (0.94) | HTR2AHTR1ADRD2DRD3CYP2D6 | |
| SCHEMBL20359039 | 0.82 | HTR1A (1.00) | HTR2AHTR1AHTR7DRD2DRD3 | |
| SCHEMBL32669458 | 0.81 | HTR2A (0.91) | HTR2AHTR1ADRD2DRD3CYP2D6 | |
| SCHEMBL734226 | 0.81 | HTR2A (0.91) | HTR2AHTR1ADRD2DRD3CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101516844-B | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH | 2013-12-11 | — | — | CN | disclosed |
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| CN-101516844-A | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH (DE) | 2009-08-26 | — | — | CN | 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | HTR2A 238/4885HTR1A 746/4885HTR7 265/4885 |
“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.