SCHEMBL4705145

SCHEMBL4705145

O=C(c1ccc(-c2ccccn2)o1)N1CCN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.52
PDE5A O76074 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.41
SCD5 Q86SK9 3/20 0.41
FAAH O00519 2/20 0.39

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
SCHEMBL373086 0.82 CHRNA7 (0.58) CHRNA7HTR3A
SCHEMBL4703331 0.81 CHRNA7 (0.48) CHRNA7HTR3ASCD5
SCHEMBL4702386 0.80 CHRNA7 (0.52) CHRNA7PDE5AHTR3A
SCHEMBL4703023 0.80 CHRNA7 (0.53) CHRNA7HTR3ASCD5
SCHEMBL4701007 0.78 CHRNA7 (0.51) CHRNA7PDE5ACHRNB2CHRNA4SCD5
SCHEMBL3326205 0.78 CHRNA7 (0.53) CHRNA7HTR3A
SCHEMBL4700316 0.77 CHRNA7 (0.70) CHRNA7PDE5AHTR3A
SCHEMBL4702959 0.77 SLC6A7 (0.54) CHRNA7HTR3A
SCHEMBL4700028 0.76 GHSR (0.46) CHRNA7HTR3A
SCHEMBL3984845 0.76 L3MBTL1 (0.55) CHRNA7CHRNB2CHRNA4HTR3A

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 6/4885PDE5A 801/4885CHRNB2 4/4885

“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.