SCHEMBL4031691

SCHEMBL4031691

O=C(C=Cc1ccoc1)N1CCN2CCC1CC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.48
CHRNA7 P36544 4/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTR3A P46098 1/20 0.40
CHRNA3 P32297 1/20 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
SCHEMBL372772 0.81 CHRNA7 (0.54) CHRNA7MAPTHTR3ACHRNA3
SCHEMBL4027798 0.76 CHRNA7 (0.58) HCAR2CHRNA7ALDH1A1MAPT
SCHEMBL13887379 0.76 CHRNA7 (0.58) HCAR2CHRNA7ALDH1A1MAPT
SCHEMBL4030339 0.76 GUSB (0.41) CHRNA7HTR3ACHRNA3
SCHEMBL5218906 0.73 HRH3 (0.69) HCAR2
SCHEMBL17570418 0.73 HRH3 (0.66)
SCHEMBL14409441 0.73 HRH3 (0.69) HCAR2
SCHEMBL4029530 0.72 ALDH1A1 (0.55) HCAR2CHRNA7ALDH1A1MAPTHTR3A
SCHEMBL13887190 0.72 ALDH1A1 (0.55) HCAR2CHRNA7ALDH1A1MAPTHTR3A
SCHEMBL13887191 0.71 CHRNA7 (0.46) CHRNA7HTR3ACHRNA3

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 HCAR2 145/4885CHRNA7 1/4885ALDH1A1 720/4885

“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.