Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL4913030 | 0.90 | CHRNB2 (0.38) | CHRNB2CHRNA4GRM5TLR7 | |
| SCHEMBL5654809 | 0.88 | FFAR1 (0.38) | CHRNB2CHRNA4GRM5 | |
| SCHEMBL5393293 | 0.85 | CHRNB2 (0.33) | CYP2D6CHRNB2CHRNA4CYP2A6CYP2C9 | |
| SCHEMBL3728065 | 0.77 | CYP2A6 (0.54) | CHRNB2CHRNA4GRM5CYP2A6CYP2C9 | |
| SCHEMBL28089 | 0.75 | — | — | |
| SCHEMBL3723301 | 0.70 | NOS3 (0.42) | HRH3GRM5 | |
| SCHEMBL614112 | 0.69 | HRH3 (0.38) | CYP2D6HRH3CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL14085289 | 0.69 | CHRNB2 (0.69) | CYP2D6HRH3CHRNB2CHRNA4GRM5 | |
| SCHEMBL8728334 | 0.69 | GABRP (0.41) | CYP2D6HRH3CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL3244440 | 0.68 | GRM5 (0.55) | CYP2D6GRM5CYP2C9CYP2C19 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7064118-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2006-06-20 | — | — | US | claimed |
| US-20060100192-A1 | Heteroaryl diazacycloalkanes, their preparation and use | DANPET AB (SE) | 2006-05-11 | — | — | US | claimed |
| CN-1348449-A | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH AS (DK) | 2002-05-08 | — | — | CN | claimed |
| US-20020045618-A1 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2002-04-18 | — | — | US | claimed |
| US-7282494-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2007-10-16 | — | — | US | disclosed |
| US-20060100192-A1 | Heteroaryl diazacycloalkanes, their preparation and use | DANPET AB (SE) | 2006-05-11 | — | — | US | disclosed |
| CN-1348449-A | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH AS (DK) | 2002-05-08 | — | — | CN | disclosed |
| US-20020045618-A1 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2002-04-18 | — | — | US | disclosed |
| EP-1175416-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000064885-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2000-11-02 | — | — | 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 (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-20020045618-A1 | Heteroaryl diazacycloalkanes, their preparation and use | CHRNA5, CHRNA7, CHRNA3 | CYP2D6 797/4885HRH3 229/4885CHRNB2 7/4885 |
| US-20060100192-A1 | Heteroaryl diazacycloalkanes, their preparation and use | CHRNA5, CHRNA7, CHRNA3 | CYP2D6 780/4885HRH3 218/4885CHRNB2 10/4885 |
“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.