SCHEMBL4201068

SCHEMBL4201068

O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
POLB P06746 1/20 0.62
CHRNA7 P36544 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
PRKD3 O94806 1/20 0.53
KMT2A Q03164 1/20 0.53
PRKD1 Q15139 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR3E A5X5Y0 4/20 0.53
HTR3B O95264 4/20 0.53
HTR3A P46098 4/20 0.53
HTR3D Q70Z44 4/20 0.53
HTR3C Q8WXA8 4/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL4201071 1.00 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7SMN1; SMN2HPGD
SCHEMBL7061976 0.90 ALDH1A1 (0.66) ALDH1A1POLBCHRNA7HTR3EHTR3B
SCHEMBL7064041 0.90 ALDH1A1 (0.54) ALDH1A1POLBCHRNA7SMN1; SMN2HPGD
SCHEMBL7219559 0.89 ALDH1A1 (0.51) ALDH1A1POLBCHRNA7SMN1; SMN2HPGD
SCHEMBL7063801 0.88 ALDH1A1 (0.63) ALDH1A1POLBCHRNA7HTR3EHTR3B
SCHEMBL4191149 0.87 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7HTR3EHTR3B
SCHEMBL4193845 0.87 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7HTR3EHTR3B
SCHEMBL7063186 0.87 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7HPGDKMT2A
SCHEMBL4201694 0.87 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7HTR3EHTR3B
SCHEMBL4191154 0.87 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7HTR3EHTR3B

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 33 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
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 EP claimed
US-7001914-B2 Compounds ASTRAZENECA AB (SE) 2006-02-21 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-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2001060821-A1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2001-08-23 WO claimed
US-20090192180-A1 Alpha-7 Nicotinic Receptor Agonists and Statins In Combination KEITH RICHARD 2009-07-30 US disclosed
WO-2001060821-A1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2001-08-23 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 (4 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-20030008867-A1 Compounds DRD2, DRD1, GRIN2A ALDH1A1 75/4885POLB 3437/4885CHRNA7 209/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 ALDH1A1 130/4885POLB 637/4885CHRNA7 304/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 ALDH1A1 267/4885POLB 344/4885CHRNA7 28/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 ALDH1A1 130/4885POLB 637/4885CHRNA7 304/4885

“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.