SCHEMBL4028569

SCHEMBL4028569

O=C(c1ccc(Br)cc1)N1CCN2CCC1CC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.62
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 1/20 0.49
HSD11B1 P28845 1/20 0.47
HTR3A P46098 1/20 0.47
CHRNA3 P32297 2/20 0.46
MGLL Q99685 1/20 0.43

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
SCHEMBL4031149 0.85 CHRNA7 (0.54) CHRNA7L3MBTL1HSD11B1HTR3ACHRNA3
SCHEMBL4028418 0.84 CHRNA7 (0.52) CHRNA7HPGDHSD11B1HTR3ACHRNA3
SCHEMBL4031884 0.84 CHRNA7 (0.52) CHRNA7HTR3ACHRNA3MGLL
SCHEMBL4030570 0.83 CHRNA7 (0.60) CHRNA7L3MBTL3L3MBTL1HTR3ACHRNA3
SCHEMBL4032087 0.82 L3MBTL3 (0.58) CHRNA7L3MBTL3L3MBTL1HPGDHSD11B1
SCHEMBL4700437 0.81 CHRNA7 (0.55) CHRNA7HPGDHSD11B1HTR3A
SCHEMBL373468 0.80 CHRNA7 (0.55) CHRNA7HPGDHSD11B1HTR3A
SCHEMBL4035487 0.80 MEN1 (0.51) CHRNA7HPGDHSD11B1HTR3AMGLL
SCHEMBL4705060 0.79 CHRNA7 (0.48) CHRNA7HTR3A
SCHEMBL373302 0.78 CHRNA7 (0.62) 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 14 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
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP claimed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US claimed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 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
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US disclosed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US disclosed
EP-1539764-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP disclosed
EP-1539765-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016617-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2004-02-26 WO 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 (2 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 6/4885L3MBTL3 4614/4885L3MBTL1 3945/4885
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists CHRNA7, CHRNB1, CHRNA1 CHRNA7 1/4885L3MBTL3 4464/4885L3MBTL1 4212/4885

“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.