SCHEMBL928752

SCHEMBL928752

CN1CC2CN(c3ccc(-c4cccs4)cn3)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.47
HCRTR2 O43614 5/20 0.47
CHRNA7 P36544 3/20 0.46
HTR3A P46098 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
GRIA2 P42262 1/20 0.40

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
Hydrochloric Acid SCHEMBL1793264 0.99 HCRTR1 (0.47) HCRTR1HCRTR2CHRNA7HTR3ACHRNB4
SCHEMBL930386 0.80 CHRNA7 (0.61) HCRTR1HCRTR2CHRNA7HTR3ACHRNB4
SCHEMBL928738 0.79 CHRNA7 (0.46) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL928253 0.79 CHRNA7 (0.46) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL927935 0.78 FYN (0.48) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL927978 0.78 CHRNA7 (0.63) CHRNA7HTR3ACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1793035 0.78 CHRNA7 (0.45) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL1802294 0.78 CHRNA7 (0.45) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL930454 0.77 CHRNA7 (0.50) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL927725 0.76 CHRNA7 (0.46) CHRNA7HTR3ACHRNB4CHRNA3EGLN1

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-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP claimed
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
JP-2007521323-A 2007-08-02 JP claimed
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP 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
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO claimed
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
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
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP 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
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 HCRTR1 674/4885HCRTR2 382/4885CHRNA7 1/4885
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 HCRTR1 299/4885HCRTR2 158/4885CHRNA7 1/4885

“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.