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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 2/20 | 0.36 |
| ▸ | CLK3 | P49761 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.35 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16290040 | 0.88 | KCNH2 (0.67) | KCNH2CHRNA7FYNMTORCLK2 | |
| SCHEMBL4102049 | 0.88 | KCNH2 (0.67) | KCNH2CHRNA7FYNMTORCLK2 | |
| SCHEMBL4102056 | 0.88 | KCNH2 (0.67) | KCNH2CHRNA7FYNMTORCLK2 | |
| SCHEMBL16290042 | 0.88 | KCNH2 (0.67) | KCNH2CHRNA7FYNMTORCLK2 | |
| SCHEMBL1790913 | 0.85 | KCNH2 (0.77) | KCNH2CHRNA7TGFBR1ACACBACACA | |
| SCHEMBL1795253 | 0.85 | KCNH2 (0.77) | KCNH2CHRNA7TGFBR1ACACBACACA | |
| SCHEMBL4103755 | 0.84 | ATR (0.39) | KCNH2CHRNA7MTOR | |
| SCHEMBL4114840 | 0.81 | KCNH2 (0.57) | KCNH2CHRNA7FYNMTORCLK2 | |
| SCHEMBL4114846 | 0.81 | KCNH2 (0.57) | KCNH2CHRNA7FYNMTORCLK2 | |
| SCHEMBL4109790 | 0.81 | KCNH2 (0.48) | KCNH2CHRNA7TGFBR1DYRK1APIP4K2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231672-B1 | BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS | ABBVIE INC (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2604611-A1 | N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor | AbbVie Inc. (US) | 2013-06-19 | — | — | EP | disclosed |
| US-20090197860-A1 | BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES | ABBOTT LABORATORIES (US) | 2009-08-06 | — | — | US | 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-20090197860-A1 | BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES | BRCA1, VHL, AADAC | KCNH2 2724/4885CHRNA7 3093/4885TGFBR1 1620/4885 |
“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.