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 | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 9/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | PPARD | Q03181 | 3/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.48 |
| ▸ | HTR3B | O95264 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7224488 | 0.91 | SMN1; SMN2 (0.59) | PPARASMN1; SMN2PPARDPPARGHTR3E | |
| SCHEMBL7225469 | 0.82 | CHRNA7 (0.49) | HTR3EHTR3BCHRNA7HTR3AHTR3D | |
| SCHEMBL7225459 | 0.81 | CHRNA7 (0.64) | PPARASMN1; SMN2PPARDHTR3EHTR3B | |
| SCHEMBL7122337 | 0.80 | CHRNA7 (0.54) | HTR3EHTR3BCHRNA7HTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL7122469 | 0.80 | CHRNA7 (0.62) | PPARASMN1; SMN2PPARDHTR3EHTR3B | |
| SCHEMBL7530755 | 0.80 | CHRNA7 (0.54) | HTR3EHTR3BCHRNA7HTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL7123494 | 0.80 | CHRNA7 (0.53) | HTR3EHTR3BCHRNA7HTR3AHTR3D | |
| SCHEMBL7224739 | 0.76 | CHRNA7 (0.50) | HTR3EHTR3BCHRNA7HTR3AHTR3D | |
| SCHEMBL7219996 | 0.76 | NTMT1 (0.48) | HTR3EHTR3BCHRNA7HTR3AHTR3D | |
| SCHEMBL7224146 | 0.75 | CHRNA7 (0.54) | HTR3EHTR3BCHRNA7HTR3AHTR3D |
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 7 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 |
| WO-2002017358-A2 | QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) | PHARMACIA & UPJOHN COMPANY (US) | 2002-02-28 | — | — | WO | 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 | PPARA 2604/4885SMN1; SMN2 1100/4885PPARD 2098/4885 |
| US-20020042429-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | PARK7, CYP3A7, UGT2B7 | PPARA 3692/4885SMN1; SMN2 1443/4885PPARD 3145/4885 |
| US-20020091135-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | NQO2, GBA1, UGT1A1 | PPARA 2604/4885SMN1; SMN2 1100/4885PPARD 2098/4885 |
“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.