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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 known ✓ | P43681 | 1/20 | 0.41 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | CCR3 | P51677 | 2/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL747150 | 1.00 | CYP2D6 (0.44) | CYP2D6NAAASLC6A2SLC6A3CHRNB2 | |
| SCHEMBL751133 | 0.84 | SLC6A3 (0.58) | SLC6A2SLC6A3CHRNB2CHRNA4OPRK1 | |
| SCHEMBL989888 | 0.84 | SLC6A3 (0.58) | SLC6A2SLC6A3CHRNB2CHRNA4OPRK1 | |
| SCHEMBL1795925 | 0.80 | OPRK1 (0.45) | CYP2D6NAAASLC6A2SLC6A3OPRK1 | |
| SCHEMBL744535 | 0.79 | CHRNA7 (0.41) | NAAACHRNB2CHRNA4KCNH2CHRNA3 | |
| SCHEMBL30945186 | 0.78 | CYP2D6 (0.36) | CYP2D6CHRNB2CHRNA4KCNH2HRH1 | |
| SCHEMBL743836 | 0.78 | PIK3CD (0.38) | CYP2D6NAAA | |
| SCHEMBL1177959 | 0.76 | CYP2D6 (0.55) | CYP2D6SLC6A2CHRM4MAPTMEN1 | |
| SCHEMBL1177510 | 0.74 | SLC6A3 (0.72) | CYP2D6NAAASLC6A2SLC6A3OPRK1 | |
| SCHEMBL1177512 | 0.74 | SLC6A3 (0.72) | CYP2D6NAAASLC6A2SLC6A3OPRK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2431368-B1 | CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBVIE BAHAMAS LTD (BS) | 2014-08-27 | — | — | EP | disclosed |
| EP-2431368-A1 | CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives | Abbott Laboratories (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2018380-B1 | Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBOTT LAB (US) | 2011-10-19 | — | — | EP | disclosed |
| US-7872017-B2 | Fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20100305089-A1 | Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives | ABBOTT LABORATORIES (US) | 2010-12-02 | — | — | US | disclosed |
| US-20080045539-A1 | FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES | ABBVIE INC. | 2008-02-21 | — | — | 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 (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-20080045539-A1 | FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES | MALT1, BMP2, ALKBH2 | CHRNB2 2585/4885CHRNA4 3022/4885OPRM1 1467/4885 |
| US-20100305089-A1 | Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives | MALT1, BMP2, ALKBH2 | CHRNB2 2585/4885CHRNA4 3022/4885OPRM1 1467/4885 |
“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.