Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pha-543613. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 known ✓ | P36544 | 14/20 | 0.98 |
| ▸ | HTR3A | P46098 | 7/20 | 0.98 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.98 |
| ▸ | HTR3B | O95264 | 4/20 | 0.98 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.98 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.63 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Pha-543613 SCHEMBL19379545 | 1.00 | CHRNA7 (0.98) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| Pha-543613 SCHEMBL5917894 | 0.99 | CHRNA7 (1.00) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| Pha-543613 SCHEMBL1458583 | 0.99 | CHRNA7 (1.00) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| Pha-543613 SCHEMBL2596554 | 0.99 | CHRNA7 (1.00) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL842378 | 0.94 | CHRNA7 (0.90) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL843227 | 0.94 | CHRNA7 (0.90) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL843228 | 0.94 | CHRNA7 (0.90) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL5917857 | 0.94 | CHRNA7 (0.90) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL6008706 | 0.91 | CHRNA7 (0.82) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6009103 | 0.90 | CHRNA7 (0.84) | CHRNA7HTR3AHTR3EHTR3BHTR3D |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140128606-A1 | ANTIPRURITIC AGENT | TORAY INDUSTRIES, INC. (JP) | 2014-05-08 | — | — | US | disclosed |
| US-7067515-B2 | Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease | PFIZER INC. (US) | 2006-06-27 | — | — | US | disclosed |
| EP-1406901-A1 | QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-04-14 | — | — | EP | disclosed |
| US-20030045540-A1 | Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease | PHARMACIA & UPJOHN COMPANY | 2003-03-06 | — | — | US | disclosed |
| WO-2002100857-A1 | QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2002-12-19 | — | — | 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 (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-20030045540-A1 | Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease | NQO2, SLC10A1, CYP7A1 | CHRNA7 594/4885HTR3A 971/4885HTR3E 1472/4885 |
| US-20140128606-A1 | ANTIPRURITIC AGENT | MRGPRX2, HRH4, TRPV1 | CHRNA7 35/4885HTR3A 368/4885HTR3E 525/4885 |
“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.