SCHEMBL4701161

SCHEMBL4701161

O=C(c1cc(-c2ccco2)co1)N1CCN2CCC1CC2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.67
HTR3A P46098 1/20 0.40
CHRNA3 P32297 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 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
SCHEMBL4700143 0.84 CHRNA7 (0.60) CHRNA7HTR3ACHRNA3
SCHEMBL4701340 0.82 CHRNA7 (0.57) CHRNA7HTR3ACHRNA3
SCHEMBL4704311 0.81 CHRNA7 (0.64) CHRNA7HTR3A
SCHEMBL4702689 0.81 CHRNA7 (0.60) CHRNA7HTR3APOLB
SCHEMBL3331680 0.81 CHRNA7 (1.00) CHRNA7HTR3ARAB9A
SCHEMBL4700316 0.81 CHRNA7 (0.70) CHRNA7HTR3ACHRNA3NPC1RAB9A
SCHEMBL4701548 0.81 CHRNA7 (0.62) CHRNA7HTR3ACHRNA3NPC1RAB9A
SCHEMBL4700659 0.80 CHRNA7 (0.54) CHRNA7HTR3ACHRNA3
Hydrochloric Acid SCHEMBL3326155 0.79 CHRNA7 (0.97) CHRNA7HTR3ARAB9A
SCHEMBL4704581 0.79 CHRNA7 (0.57) CHRNA7HTR3ACHRNA3NPC1RAB9A

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 6/4885HTR3A 162/4885CHRNA3 8/4885

“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.