Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6350290 | 0.83 | CHRNB2 (0.51) | CYP1A2CYP2D6CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL6350323 | 0.79 | MELK (0.57) | CYP1A2CYP2C19HRH4CHEK1CYP11B2 | |
| SCHEMBL3453906 | 0.79 | CHEK1 (0.58) | HRH4CHEK1CYP11B2 | |
| SCHEMBL6352719 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP2D6ALOX15CYP3A4MEN1 | |
| SCHEMBL6353700 | 0.76 | MET (0.56) | HRH1HRH4HRH3CHEK1HDAC3 | |
| SCHEMBL6347039 | 0.75 | CYP2A6 (0.57) | HRH1HRH4HRH3DRD2HTR6 | |
| SCHEMBL4620360 | 0.75 | FYN (0.69) | CYP1A2CYP2D6ALOX15CYP3A4MEN1 | |
| SCHEMBL6357589 | 0.74 | CHEK1 (0.53) | CHEK1CYP11B2 | |
| SCHEMBL2385322 | 0.74 | CYP1A2 (0.65) | CYP1A2CYP2D6ALOX15CYP3A4MEN1 | |
| SCHEMBL6354314 | 0.74 | MELK (0.52) | CHEK1CYP11B2 |
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-6897219-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2005-05-24 | — | — | US | disclosed |
| US-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | disclosed |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | NEUROSEARCH A/S | 2004-04-15 | — | — | US | disclosed |
| CN-1131211-C | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2003-12-17 | — | — | CN | disclosed |
| CN-1277604-A | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2000-12-20 | — | — | 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-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | OGFR, CBR3, OGFRL1 | CYP1A2 162/4885CYP2D6 95/4885ALOX15 2067/4885 |
“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.