SCHEMBL372893

SCHEMBL372893

O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 1.00
HTR3E A5X5Y0 7/20 1.00
HTR3B O95264 7/20 1.00
HTR3A P46098 7/20 1.00
HTR3D Q70Z44 7/20 1.00
HTR3C Q8WXA8 7/20 1.00
CHEK1 O14757 2/20 0.61

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
SCHEMBL4195124 1.00 CHRNA7 (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6806889 1.00 CHRNA7 (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4194893 1.00 CHRNA7 (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7061150 0.99 CHRNA7 (0.98) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4207092 0.90 CHRNA7 (0.81) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4202934 0.90 CHRNA7 (0.81) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7060985 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4204834 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4193992 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4193988 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545537-B9 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2008-08-20 EP claimed
US-7214688-B2 Compounds ASTRAZENECA AB (SE) 2007-05-08 US claimed
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 EP claimed
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US claimed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US claimed
US-20060128749-A1 Compounds PHILLIPS EIFION 2006-06-15 US claimed
US-20050256146-A1 Alpha-7 nicotinic receptor agonists and stains in combination ASTRAZENECA AB (SE) 2005-11-17 US claimed
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP claimed
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 claimed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP claimed
US-20030008867-A1 Compounds ASTRAZENECA AB (SE) 2003-01-09 US claimed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US claimed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US claimed
EP-1259508-A1 NOVEL BIARYLCARBOXAMIDES AstraZeneca AB (SE) 2002-11-27 EP claimed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US claimed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2001060821-A1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2001-08-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060160835-A1 Methods and compositions for treatment of central nervous system disorders JAK2, ERBB2, ERBB3 CHRNA7 46/4885HTR3E 349/4885HTR3B 139/4885
US-20060128749-A1 Compounds DRD2, DRD1, GRIN2A CHRNA7 302/4885HTR3E 601/4885HTR3B 753/4885
US-20030008867-A1 Compounds DRD2, DRD1, GRIN2A CHRNA7 209/4885HTR3E 350/4885HTR3B 441/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNA7 304/4885HTR3E 1023/4885HTR3B 414/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 CHRNA7 28/4885HTR3E 1668/4885HTR3B 628/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNA7 304/4885HTR3E 1023/4885HTR3B 414/4885

“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.