Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.50 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21326942 | 0.87 | SIGMAR1 (0.53) | SIGMAR1CYP2D6ACHEBACE1LMNA | |
| SCHEMBL25391340 | 0.84 | SIGMAR1 (0.54) | SIGMAR1CYP2D6TSHRACHEBACE1 | |
| SCHEMBL538679 | 0.82 | SIGMAR1 (0.82) | SIGMAR1CYP2D6TSHRDRD2HTR2A | |
| SCHEMBL3778634 | 0.80 | SIGMAR1 (0.62) | SIGMAR1CYP2D6TSHRACHEDRD2 | |
| SCHEMBL7846425 | 0.80 | SIGMAR1 (0.65) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL3799816 | 0.79 | TSHR (0.52) | SIGMAR1CYP2D6TSHR | |
| SCHEMBL1588555 | 0.79 | SIGMAR1 (0.63) | SIGMAR1CYP2D6TSHRDRD2HTR2A | |
| SCHEMBL7016275 | 0.79 | SIGMAR1 (0.72) | SIGMAR1CYP2D6TSHR | |
| SCHEMBL3763671 | 0.78 | SIGMAR1 (0.61) | SIGMAR1CYP2D6TSHRACHEBACE1 | |
| SCHEMBL31288605 | 0.78 | SIGMAR1 (0.61) | SIGMAR1CYP2D6TSHRACHEBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | LIGAND PHARMACEUTICALS, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | LIGAND PHARMACEUTICALS, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | LIGAND PHARMACEUTICALS, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| WO-2009039431-A2 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | NEUROGEN CORPORATION (US) | 2009-03-26 | — | — | WO | disclosed |
| WO-2009039431-A2 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | NEUROGEN CORPORATION (US) | 2009-03-26 | — | — | 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 (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-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | HRH3, HRH4, HRH2 | SIGMAR1 178/4885CYP2D6 551/4885TSHR 157/4885 |
“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.