SCHEMBL4032687

SCHEMBL4032687

O=C(C#CN1CCN2CCC1CC2)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.44
HTR3A P46098 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNA3 P32297 2/20 0.39
CYP2D6 P10635 1/20 0.37
ACHE P22303 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
SCHEMBL5636704 0.91 CYP2D6 (0.41) CHRNA7HTR3AL3MBTL3L3MBTL1CYP2D6
SCHEMBL4030570 0.71 CHRNA7 (0.60) CHRNA7HTR3AL3MBTL3L3MBTL1CHRNA3
SCHEMBL28025835 0.68 HSP90AA1 (0.50) L3MBTL1
SCHEMBL5143659 0.68 HSP90AA1 (0.57) L3MBTL1
SCHEMBL6248299 0.67 SIGMAR1 (0.53) HTR3A
Benzoic Acid SCHEMBL16631990 0.66 TSHR (0.70) L3MBTL1
SCHEMBL24355102 0.66 HSP90AA1 (0.44) L3MBTL1ACHE
Benzoic Acid SCHEMBL28541320 0.66 TSHR (0.56) CHRNA7HTR3AACHE
Benzoic Acid SCHEMBL9022961 0.66 TSHR (0.56) CHRNA7HTR3AACHE
SCHEMBL4032689 0.66 CHRNA7 (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP claimed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US 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
EP-1539764-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016616-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2004-02-26 WO 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 CHRNA7 1/4885HTR3A 202/4885L3MBTL3 4464/4885

“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.