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 | 0.35 |
| ▸ | CHRNA4 known ✓ | P43681 | 1/20 | 0.35 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.44 |
| ▸ | MTOR | P42345 | 6/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | RICTOR | Q6R327 | 2/20 | 0.36 |
| ▸ | MAPKAP1 | Q9BPZ7 | 2/20 | 0.36 |
| ▸ | MLST8 | Q9BVC4 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.35 |
| ▸ | HTR3B | O95264 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL746279 | 0.88 | CHRNA7 (0.54) | CHRNA7MTORPIK3CAATRKCNH2 | |
| SCHEMBL744608 | 0.84 | CHRNA7 (0.42) | CHRNA7MTORKCNH2CYP2D6CHRNB2 | |
| SCHEMBL743794 | 0.83 | CHRNA7 (0.42) | CHRNA7KCNH2CYP2D6CHRNB2CHRNB4 | |
| SCHEMBL1110496 | 0.83 | ATR (0.38) | CHRNA7MTORPIK3CAATRATRIP | |
| SCHEMBL747739 | 0.80 | PIK3CD (0.38) | CHRNA7MTORPIK3CAATRCYP2D6 | |
| SCHEMBL748165 | 0.79 | HTR6 (0.35) | CHRNA7MTORKCNH2CYP2D6HTR2B | |
| SCHEMBL746275 | 0.75 | CHRNA7 (0.42) | CHRNA7KCNH2CYP2D6CHRNB2CHRNB4 | |
| SCHEMBL745851 | 0.75 | CHRNA7 (0.49) | CHRNA7MTORPIK3CAATRKCNH2 | |
| SCHEMBL745038 | 0.74 | PIM1 (0.37) | CHRNA7MTORKCNH2CYP2D6HTR2B | |
| SCHEMBL747091 | 0.74 | CHRNA7 (0.53) | CHRNA7MTORPIK3CAATRKCNH2 |
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 3022/4885FLT3 670/4885 |
| US-20100305089-A1 | Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives | MALT1, BMP2, ALKBH2 | CHRNB2 2585/4885CHRNA4 3022/4885FLT3 670/4885 |
“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.