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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 12/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.44 |
| ▸ | HTR3B | O95264 | 5/20 | 0.44 |
| ▸ | HTR3A | P46098 | 5/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7224567 | 1.00 | KMO (0.51) | KMOCHRNA7HTR3EHTR3BHTR3A | |
| SCHEMBL7224582 | 0.91 | CHRNA7 (0.52) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7225531 | 0.89 | CHRNA7 (0.47) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7218166 | 0.88 | CHRNA7 (0.47) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7224125 | 0.87 | CHRNA7 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7217829 | 0.84 | CHRNA7 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7225469 | 0.84 | CHRNA7 (0.49) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7218323 | 0.84 | CHRNA7 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7224141 | 0.84 | ALDH1A1 (0.47) | KMOCHRNA7HTR3EHTR3BHTR3A | |
| SCHEMBL7224137 | 0.84 | ALDH1A1 (0.47) | KMOCHRNA7HTR3EHTR3BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| US-6599916-B2 | Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. | PHARMACIA & UPJOHN COMPANY | 2003-07-29 | — | — | US | disclosed |
| US-6500840-B2 | CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY | 2002-12-31 | — | — | US | disclosed |
| US-6492385-B2 | CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY | 2002-12-10 | — | — | US | disclosed |
| US-20020091135-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY | 2002-07-11 | — | — | US | disclosed |
| US-20020042428-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | PHARMACIA & UPJOHN COMPANY | 2002-04-11 | — | — | US | disclosed |
| US-20020042429-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | PHARMACIA & UPJOHN COMPANY | 2002-04-11 | — | — | 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 (3 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-20020042428-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | NQO2, GBA1, UGT1A1 | KMO 479/4885CHRNA7 304/4885HTR3E 1023/4885 |
| US-20020042429-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | PARK7, CYP3A7, UGT2B7 | KMO 606/4885CHRNA7 28/4885HTR3E 1668/4885 |
| US-20020091135-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | NQO2, GBA1, UGT1A1 | KMO 479/4885CHRNA7 304/4885HTR3E 1023/4885 |
“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.