SCHEMBL4026558

SCHEMBL4026558

O=C(c1ccc(Cl)c(Cl)c1)N1CCN2CCC1CC2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.61
UGCG Q16739 2/20 0.54
HPGD P15428 1/20 0.53
HSD11B1 P28845 1/20 0.50
CHRNA7 P36544 2/20 0.49
PKM P14618 1/20 0.49
HCRTR1 O43613 1/20 0.46
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR3A P46098 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL4028418 0.83 CHRNA7 (0.52) CHRNA3HPGDHSD11B1CHRNA7HTR3A
SCHEMBL4025885 0.81 CHRNA7 (0.51) CHRNA3HSD11B1CHRNA7TSHR
SCHEMBL4031149 0.78 CHRNA7 (0.54) CHRNA3HSD11B1CHRNA7HTR3A
SCHEMBL4028207 0.78 CHRNA3 (0.64) CHRNA3HPGDCHRNA7TSHRHTR3A
SCHEMBL4028569 0.77 CHRNA7 (0.62) CHRNA3HPGDHSD11B1CHRNA7HTR3A
SCHEMBL4031884 0.77 CHRNA7 (0.52) CHRNA3CHRNA7HTR3A
SCHEMBL4030570 0.76 CHRNA7 (0.60) CHRNA3CHRNA7HTR3A
SCHEMBL7553764 0.76 CHRNA3 (1.00) CHRNA3CHRNA7HTR3A
SCHEMBL4029985 0.75 CHRNA7 (0.51) CHRNA3CHRNA7HTR3A
SCHEMBL4027734 0.75 HSD11B1 (0.53) HPGDHSD11B1CHRNA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP claimed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US 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

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 CHRNA3 13/4885UGCG 3606/4885HPGD 1700/4885

“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.