SCHEMBL4028654

SCHEMBL4028654

O=C(c1ccc(Cl)s1)N1CCN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
CHRNA7 P36544 2/20 0.49
DAO P14920 1/20 0.46
CHRNA3 P32297 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3A P46098 1/20 0.43
UGCG Q16739 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL373757 0.82 HPGD (0.53) ALDH1A1HPGDCHRNA7DAOCHRNA3
SCHEMBL4208882 0.82 CHRNA7 (0.49) CHRNA7CHRNA3HTR3AL3MBTL3L3MBTL1
SCHEMBL4700617 0.78 CHRNA7 (0.52) ALDH1A1HPGDCHRNA7NPC1POLB
SCHEMBL4701453 0.76 ALDH1A1 (0.56) ALDH1A1HPGDCHRNA7MAPTNPC1
SCHEMBL4701573 0.76 HDAC3 (0.48) CHRNA7HTR3A
SCHEMBL4700154 0.75 ESRRG (0.43) CHRNA7HTR3AL3MBTL3L3MBTL1
SCHEMBL4703034 0.74 CHRNA7 (0.47) CHRNA7HTR3AL3MBTL3L3MBTL1
SCHEMBL4700217 0.74 KDM4E (0.56) CHRNA7MAPTNPC1RAB9AHTR3A
SCHEMBL4700166 0.74 CHRNA7 (0.60) CHRNA7CHRNA3NPC1RAB9AHTR3A
SCHEMBL4028418 0.74 CHRNA7 (0.52) ALDH1A1HPGDCHRNA7CHRNA3MAPT

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US claimed
EP-1539764-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016616-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2004-02-26 WO claimed
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1539764-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016616-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2004-02-26 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 (1 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-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists CHRNA7, CHRNB1, CHRNA1 ALDH1A1 720/4885HPGD 1700/4885CHRNA7 1/4885

“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.