SCHEMBL928756

SCHEMBL928756

Cc1ccc(S(=O)(=O)O[C@]23CN[C@@H](CN2c2ccc(Cl)nc2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.36
CHRNA3 P32297 6/20 0.36
CHRNB2 P17787 8/20 0.35
CHRNA4 P43681 8/20 0.35
CHRM1 P11229 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5041371 1.00 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4CHRM1
SCHEMBL5037373 0.90 CHRNB2 (0.36) CHRNB2CHRNA4CYP2D6
SCHEMBL5036656 0.88 CHRNB2 (0.35) CHRNB2CHRNA4CYP2D6
SCHEMBL5038413 0.87 CHRNB2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4POLB
SCHEMBL5034210 0.87 CHRNB2 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4CHRM1
SCHEMBL5038447 0.87 CHRNB2 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL5038439 0.84 CHRNB2 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5034038 0.84 CYP2D6 (0.33) CYP2D6
SCHEMBL5041551 0.83 CHRNB2 (0.34) CHRNB4CHRNA3CHRNB2CHRNA4POLB
SCHEMBL5043607 0.83 CHRNB2 (0.34) CHRNB4CHRNA3CHRNB2CHRNA4POLB

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 disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP 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 CHRNB4 20/4885CHRNA3 8/4885CHRNB2 7/4885
US-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 CHRNB4 37/4885CHRNA3 23/4885CHRNB2 29/4885

“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.