Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5043614 | 0.85 | CHRNA7 (0.47) | PARP1MEN1GFERKMT2ACHRNA7 | |
| SCHEMBL5370722 | 0.85 | CHRNA7 (0.47) | PARP1MEN1GFERKMT2ACHRNA7 | |
| SCHEMBL5036712 | 0.83 | CHRNB2 (0.42) | MEN1GFERKMT2ASMOHRH4 | |
| SCHEMBL5037205 | 0.80 | CHRNA7 (0.40) | PARP1HSD11B1CHRNA7KCNH2CYP2D6 | |
| SCHEMBL5034167 | 0.77 | CHRNA7 (0.46) | PARP1HSD11B1CHRNA7KCNH2 | |
| SCHEMBL1792172 | 0.74 | CHRNA7 (0.72) | CHRNA7KCNH2 | |
| SCHEMBL3656788 | 0.67 | KEAP1 (0.59) | MEN1GFERKMT2AALDH1A1CYP2C19 | |
| SCHEMBL5375770 | 0.64 | CHRNB2 (0.50) | MEN1GFERKMT2AHRH4 | |
| SCHEMBL5043771 | 0.64 | CHRNB2 (0.50) | MEN1GFERKMT2AHRH4 | |
| SCHEMBL7243686 | 0.63 | KCNH2 (0.45) | PARP1CHRNA7KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1359152-B1 | Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands | ABBOTT LAB (US) | 2008-05-07 | — | — | EP | disclosed |
| US-7265115-B2 | Diazabicyclic CNS active agents | ABBOTT LABORATORIES (US) | 2007-09-04 | — | — | US | disclosed |
| US-20030225268-A1 | Diazabicyclic CNS active agents | ABBVIE INC. | 2003-12-04 | — | — | US | disclosed |
| EP-1359152-A2 | Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands | ABBOTT LABORATORIES (US) | 2003-11-05 | — | — | EP | disclosed |
| EP-1147112-B1 | DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | ABBOTT LAB (US) | 2003-10-29 | — | — | EP | 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-20030225268-A1 | Diazabicyclic CNS active agents | GABRE, GRIN1, CNTN1 | PARP1 4378/4885HSD11B1 2390/4885MEN1 500/4885 |
“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.