SCHEMBL4030335

SCHEMBL4030335

O=C(C=CN1CCN2CCC1CC2)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
DAO P14920 1/20 0.36
KDR P35968 3/20 0.35
KMT2A Q03164 2/20 0.33
CHRNA7 P36544 2/20 0.33
MEN1 O00255 1/20 0.33
HDAC1 Q13547 1/20 0.33
CHRM1 P11229 1/20 0.33
HPGD P15428 1/20 0.33
PLD2 O14939 1/20 0.32
HTR3A P46098 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL372771 0.81 CHRNA7 (0.43) KMT2ACHRNA7MEN1HPGDHTR3A
SCHEMBL4029529 0.76 GAA (0.48) GPR52KMT2AMEN1HPGDALDH1A1
SCHEMBL4031687 0.76 MAPT (0.43) GPR52KMT2ACHRNA7MEN1HPGD
SCHEMBL4032717 0.76 GAA (0.48) GPR52KMT2AMEN1HPGDALDH1A1
SCHEMBL5259813 0.73 GPR52 (0.36) GPR52CES2CES1LCKFYN
SCHEMBL5958271 0.72 HRH3 (0.40) GPR52
SCHEMBL4033241 0.71 CHRNA7 (0.58) GPR52KMT2ACHRNA7MEN1HPGD
SCHEMBL4029015 0.71 CHRNA7 (0.41) GPR52KMT2ACHRNA7HTR3AALDH1A1
SCHEMBL4027794 0.71 CHRNA7 (0.58) GPR52KMT2ACHRNA7MEN1HPGD
SCHEMBL4026644 0.68 ABCG2 (0.49) GPR52CHRM1ALDH1A1

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 3 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-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 GPR52 175/4885CES2 350/4885CES1 485/4885

“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.