SCHEMBL928824

SCHEMBL928824

CN1C[C@@H]2CN(c3ccc(-c4ccc5[nH]ccc5c4)nc3)C[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 1.00
CHRNA7 P36544 11/20 0.52
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
HRH3 Q9Y5N1 1/20 0.43
HTR3A P46098 1/20 0.41
LRRK2 Q5S007 1/20 0.39
MAP3K11 Q16584 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
SCHEMBL18016317 1.00 KCNH2 (1.00) KCNH2CHRNA7CHRNB2CHRNA4HRH3
SCHEMBL927738 1.00 KCNH2 (1.00) KCNH2CHRNA7CHRNB2CHRNA4HRH3
SCHEMBL927736 1.00 KCNH2 (1.00) KCNH2CHRNA7CHRNB2CHRNA4HRH3
SCHEMBL3182060 1.00 KCNH2 (1.00) KCNH2CHRNA7CHRNB2CHRNA4HRH3
SCHEMBL927571 0.88 KCNH2 (0.78) KCNH2CHRNA7CHRNB2CHRNA4LRRK2
SCHEMBL1790913 0.88 KCNH2 (0.77) KCNH2CHRNA7CHRNB2CHRNA4
SCHEMBL1795253 0.88 KCNH2 (0.77) KCNH2CHRNA7CHRNB2CHRNA4
SCHEMBL19488946 0.86 KCNH2 (0.76) KCNH2CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL4114880 0.83 KCNH2 (0.70) KCNH2CHRNA7HRH3LRRK2
SCHEMBL4113432 0.83 KCNH2 (0.70) KCNH2CHRNA7HRH3LRRK2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150352107-A1 ALPHA7 NEURONAL NICOTINIC RECEPTOR LIGAND AND ANTIPSYCHOTIC COMPOSITIONS ABBVIE INC. 2015-12-10 US claimed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US claimed
US-20060211686-A1 Alpha7 Neuronal nicotinic receptor ligand and antipsychotic compositions ABBOTT LABORATORIES 2006-09-21 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-12215387-B2 Biomarker predictive of responsiveness to alpha 7 nicotinic acetylcholine receptor activator treatment NOVARTIS AG (CH) 2025-02-04 US disclosed
US-20220316011-A1 BIOMARKER PREDICTIVE OF RESPONSIVENESS TO ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATOR TREATMENT NOVARTIS AG (CH) 2022-10-06 US disclosed
US-11359241-B2 Biomarkers predictive of responsiveness to alpha 7 nicotinic acetylcholine receptor activator treatment NOVARTIS AG (CH) 2022-06-14 US disclosed
US-20210338621-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS NOVARTIS AG (CH) 2021-11-04 US disclosed
US-20200108035-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS NOVARTIS AG (CH) 2020-04-09 US disclosed
US-20180037957-A1 BIOMARKERS PREDICTIVE OF RESPONSIVENESS TO ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATOR TREATMENT NOVARTIS AG (CH) 2018-02-08 US disclosed
EP-2931315-B1 BIOMARKER PREDICTIVE OF RESPONSIVENESS TO ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATOR TREATMENT NOVARTIS AG (CH) 2017-11-29 EP disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-20080039462-A1 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION 2008-02-14 US disclosed
US-20060211686-A1 Alpha7 Neuronal nicotinic receptor ligand and antipsychotic compositions ABBOTT LABORATORIES 2006-09-21 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 (14 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-20180037957-A1 BIOMARKERS PREDICTIVE OF RESPONSIVENESS TO ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATOR TREATMENT CHRNA7, CHRNA4, CHRNA5 KCNH2 2953/4885CHRNA7 1/4885CHRNB2 9/4885
US-20060211686-A1 Alpha7 Neuronal nicotinic receptor ligand and antipsychotic compositions CHRNA7, CHRNA5, CHRNA6 KCNH2 334/4885CHRNA7 1/4885CHRNB2 10/4885
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR3B KCNH2 837/4885CHRNA7 148/4885CHRNB2 192/4885
US-12215387-B2 Biomarker predictive of responsiveness to alpha 7 nicotinic acetylcholine receptor activator treatment CHRNA7, CHRNA4, CHRNA5 KCNH2 2839/4885CHRNA7 1/4885CHRNB2 9/4885
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR1A KCNH2 1646/4885CHRNA7 204/4885CHRNB2 277/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 KCNH2 340/4885CHRNA7 1/4885CHRNB2 7/4885
US-20080039462-A1 Compounds having 5-HT6 receptor affinity HTR6, HTR3B, HTR1B KCNH2 803/4885CHRNA7 167/4885CHRNB2 210/4885
US-20220316011-A1 BIOMARKER PREDICTIVE OF RESPONSIVENESS TO ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATOR TREATMENT CHRNA7, CHRNA4, CHRNA5 KCNH2 2839/4885CHRNA7 1/4885CHRNB2 9/4885
US-20200108035-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS CHRNA7, CHRNA5, CHRNA4 KCNH2 978/4885CHRNA7 1/4885CHRNB2 14/4885
US-20150352107-A1 ALPHA7 NEURONAL NICOTINIC RECEPTOR LIGAND AND ANTIPSYCHOTIC COMPOSITIONS CHRNA7, CHRNA5, CHRNA6 KCNH2 334/4885CHRNA7 1/4885CHRNB2 10/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 KCNH2 1554/4885CHRNA7 5/4885CHRNB2 12/4885
US-11359241-B2 Biomarkers predictive of responsiveness to alpha 7 nicotinic acetylcholine receptor activator treatment CHRNA7, CHRNA4, CHRNA5 KCNH2 2953/4885CHRNA7 1/4885CHRNB2 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 KCNH2 765/4885CHRNA7 1/4885CHRNB2 6/4885
US-20210338621-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS CHRNA7, CHRNA5, CHRNA4 KCNH2 978/4885CHRNA7 1/4885CHRNB2 14/4885

“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.