SCHEMBL4031687

SCHEMBL4031687

O=C(C=CN1CCN2CCC1CC2)c1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRNA7 P36544 4/20 0.36
EPHX2 P34913 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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) MAPTRECQLMEN1KMT2AALDH1A1
SCHEMBL4027794 0.76 CHRNA7 (0.58) MAPTGPR52MEN1KMT2AKDM4E
SCHEMBL4033241 0.76 CHRNA7 (0.58) MAPTGPR52MEN1KMT2AKDM4E
SCHEMBL4030335 0.76 GPR52 (0.39) GPR52MEN1KMT2AALDH1A1HPGD
SCHEMBL5218900 0.73 HRH3 (0.41) MAPTRECQLGPR52MEN1CYP1A2
SCHEMBL4029015 0.71 CHRNA7 (0.41) MAPTGPR52KMT2AALDH1A1CHRNA7
SCHEMBL4032717 0.71 GAA (0.48) MAPTGPR52MEN1KMT2AKDM4E
SCHEMBL4029529 0.71 GAA (0.48) MAPTGPR52MEN1KMT2AKDM4E
SCHEMBL4026644 0.68 ABCG2 (0.49) MAPTGPR52KDM4EALDH1A1NPC1
SCHEMBL4031691 0.66 HCAR2 (0.48) MAPTALDH1A1CHRNA7CHRNA3HTR3A

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 5 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

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 MAPT 3363/4885RECQL 1569/4885GPR52 175/4885

“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.