SCHEMBL4704002

SCHEMBL4704002

O=C(c1coc(-c2cccnc2)c1)N1CCN2CCC1CC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
SCD O00767 3/20 0.43
SCD5 Q86SK9 2/20 0.42
KCNH2 Q12809 1/20 0.41
CYP2C9 P11712 1/20 0.40
SMO Q99835 1/20 0.39
CHRNA3 P32297 1/20 0.39
GHSR Q92847 1/20 0.39
HTR3A P46098 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL4702978 0.86 CHRNA7 (0.48) CHRNA7SCDSCD5CHRNA3HTR3A
SCHEMBL4703577 0.86 CHRNA7 (0.53) CHRNA7CHRNA3HTR3A
SCHEMBL4700611 0.83 KMO (0.52) CHRNA7SMOGHSR
SCHEMBL4701174 0.82 MKNK1 (0.55) CHRNA7SMOGHSRMKNK1MKNK2
SCHEMBL4705416 0.82 CHRNA7 (0.53) CHRNA7SCDSCD5CYP2C9CHRNA3
SCHEMBL4701007 0.81 CHRNA7 (0.51) CHRNA7SCDSCD5KCNH2CYP2C9
SCHEMBL4703053 0.80 DYRK1A (0.43) CHRNA7CYP2C9SMOHTR3A
SCHEMBL4700208 0.79 CHRNA7 (0.51) CHRNA7CHRNA3HTR3A
SCHEMBL4703331 0.79 CHRNA7 (0.48) CHRNA7SCDSCD5CYP2C9SMO
SCHEMBL4701548 0.78 CHRNA7 (0.62) CHRNA7CHRNA3HTR3A

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-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP claimed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US claimed
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 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-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists CHRNA1, CHRNB1, CHRNA2 CHRNA7 6/4885SCD 3011/4885SCD5 3140/4885

“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.