SCHEMBL4700669

SCHEMBL4700669

O=C(c1ccc(-c2ccoc2)o1)N1CCN2CCC1CC2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.54
SCN5A Q14524 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
HTR3A P46098 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4D Q08499 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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 0.84 CHRNA7 (0.58) CHRNA7HTR3APDE4BPDE4D
SCHEMBL3325793 0.81 SCN5A (0.58) CHRNA7SCN5ASCN2ASCN10APDE4B
SCHEMBL3326252 0.81 CHRNA7 (0.52) CHRNA7SCN5ASCN2ASCN10APDE4B
SCHEMBL4702386 0.81 CHRNA7 (0.52) CHRNA7SCN5ASCN2ASCN10AHTR3A
Hydrochloric Acid SCHEMBL3328099 0.81 SCN5A (0.57) CHRNA7SCN5ASCN2ASCN10APDE4B
SCHEMBL4701340 0.81 CHRNA7 (0.57) CHRNA7HTR3A
SCHEMBL4700208 0.81 CHRNA7 (0.51) CHRNA7HTR3A
SCHEMBL3618966 0.80 CHRNA7 (0.51) CHRNA7SCN5ASCN2ASCN10AHTR3A
SCHEMBL4702534 0.80 CHRNA7 (0.50) CHRNA7SCN5ASCN2ASCN10AHTR3A
SCHEMBL3327081 0.80 NPC1 (0.50) CHRNA7SCN5ASCN2ASCN10APDE4B

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 6/4885SCN5A 855/4885SCN2A 295/4885

“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.