Pha-543613

Pha-543613

SCHEMBL2596554

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA7

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)

geneUniProtsupporting neighboursconfidence
CHRNA7 known ✓ P36544 13/20 1.00
HTR3A P46098 7/20 1.00
HTR3E A5X5Y0 4/20 1.00
HTR3B O95264 4/20 1.00
HTR3D Q70Z44 4/20 1.00
HTR3C Q8WXA8 4/20 1.00
CYP2D6 P10635 1/20 0.67
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64

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.

Compoundsimilaritytop predictedshared targets
Pha-543613 SCHEMBL1458583 1.00 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
Pha-543613 SCHEMBL5917894 1.00 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
Pha-543613 SCHEMBL19379545 0.99 CHRNA7 (0.98) CHRNA7HTR3AHTR3EHTR3BHTR3D
Pha-543613 SCHEMBL6007449 0.99 CHRNA7 (0.98) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917857 0.94 CHRNA7 (0.90) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842378 0.94 CHRNA7 (0.90) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843227 0.94 CHRNA7 (0.90) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843228 0.94 CHRNA7 (0.90) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6009103 0.91 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5704712 0.91 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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102192-A1 THERAPIES FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH ABNORMAL EXPRESSION OF A NEURAL-ASSOCIATED GENE UNIV CALIFORNIA (US) 2023-03-30 US claimed
EP-1699488-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS Pfizer Products Incorporated (US) 2006-09-13 EP claimed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US claimed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US claimed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US claimed
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders PFIZER INC. 2005-09-29 US claimed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP claimed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP claimed
EP-1572700-A1 CRYSTALLINE FUMARATE SALTS OF 1-AZABICYCLO[2.2.2]OCT SUBSTITUTED FURO[2,3-C]PYRIDINYL CARBOXAMIDE AND COMPOSITIONS AND PREPARATIONS THEREOF Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP claimed
US-20050165047-A1 Crystalline fumarate salts of 1-azabicyclo[2.2.2]oct substituted furo[2,3-c]pyridinyl carboxamide and compositions and preparations thereof PFIZER INC 2005-07-28 US claimed
WO-2005063296-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS PFIZER PRODUCTS INC. (US) 2005-07-14 WO claimed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US claimed
WO-2004052894-A1 CRYSTALLINE FUMARATE SALTS OF 1-AZABICYCLO[2.2.2]OCT SUBSTITUTED FURO[2,3-C]PYRIDINYL CARBOXAMIDE AND COMPOSITIONS AND PREPARATIONS THEREOF PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO claimed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO claimed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO claimed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP claimed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US claimed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2024-08-01 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 (8 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE CHRNA7 1/4885HTR3A 497/4885HTR3E 673/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885HTR3A 426/4885HTR3E 837/4885
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders CHRNA3, CHRNA7, CHRNA2 CHRNA7 2/4885HTR3A 66/4885HTR3E 80/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 CHRNA7 594/4885HTR3A 971/4885HTR3E 1472/4885
US-20230102192-A1 THERAPIES FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH ABNORMAL EXPRESSION OF A NEURAL-ASSOCIATED GENE CHRNA7, CHRNA3, CHRNA6 CHRNA7 1/4885HTR3A 282/4885HTR3E 262/4885
US-20050165047-A1 Crystalline fumarate salts of 1-azabicyclo[2.2.2]oct substituted furo[2,3-c]pyridinyl carboxamide and compositions and preparations thereof CHRNA7, CHRNA1, CHRNA5 CHRNA7 1/4885HTR3A 344/4885HTR3E 1167/4885
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 CHRNA7 4612/4885HTR3A 3702/4885HTR3E 3159/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 CHRNA7 1/4885HTR3A 32/4885HTR3E 45/4885

“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.