SCHEMBL1793085

SCHEMBL1793085

Cc1cccc(-c2ccc(N3CC4CNC4C3)nn2)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.53
CHRNB4 P30926 6/20 0.50
CHRNA3 P32297 6/20 0.50
HTR3A P46098 1/20 0.50
CHRNB2 P17787 5/20 0.44
CHRNA4 P43681 5/20 0.44
TP53 P04637 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
SCHEMBL927501 1.00 CHRNA7 (0.53) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL1792057 0.88 NPC1 (0.48) CHRNA7CHRNB4CHRNA3HTR3ATP53
SCHEMBL928614 0.86 CHRNA7 (0.71) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL928212 0.85 CHRNA7 (0.54) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL927781 0.85 CHRNA7 (0.72) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL928716 0.85 CHRNA7 (0.72) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL1792137 0.85 CHRNA7 (0.72) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL928610 0.83 CHRNA7 (0.73) CHRNA7CHRNB4CHRNA3HTR3ATP53
Hydrochloric Acid SCHEMBL1794246 0.81 CHRNA7 (0.71) CHRNA7CHRNB4CHRNA3HTR3ATP53
Hydrochloric Acid SCHEMBL6323649 0.81 CHRNA7 (0.71) CHRNA7CHRNB4CHRNA3HTR3ATP53

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 8 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
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
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP 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 (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-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 1/4885CHRNB4 15/4885CHRNA3 8/4885

“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.