SCHEMBL927240

SCHEMBL927240

CN1C[C@@H]2CN(c3ccc(-c4ccccc4)nc3)[C@@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.69
CHRNB2 P17787 2/20 0.69
CHRNA4 P43681 2/20 0.69
HRH3 Q9Y5N1 6/20 0.52
HTR3A P46098 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1792850 1.00 CHRNA7 (0.69) CHRNA7CHRNB2CHRNA4HRH3HTR3A
SCHEMBL928223 0.82 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL927548 0.78 CHRNB2 (0.69) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1792587 0.78 CHRNB2 (0.69) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL927665 0.78 KCNH2 (0.67) CHRNA7CHRNB2CHRNA4HRH3HTR3A
SCHEMBL927667 0.78 KCNH2 (0.67) CHRNA7CHRNB2CHRNA4HRH3HTR3A
SCHEMBL928530 0.77 CHRNA7 (0.68) CHRNA7HRH3HTR3ACHRNB4CHRNA3
SCHEMBL927670 0.76 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4HRH3HTR3A
SCHEMBL928224 0.74 CHRNA7 (0.82) CHRNA7CHRNB2CHRNA4HRH3HTR3A
Cadaverine Tartrate SCHEMBL1792402 0.73 CHRNA7 (0.79) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US claimed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US claimed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US claimed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 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 (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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 CHRNA7 1/4885CHRNB2 7/4885CHRNA4 9/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 10/4885

“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.