SCHEMBL5043632

SCHEMBL5043632

Cc1ccc(S(=O)(=O)O[C@@]23CN[C@H](CN2c2cncc(Br)c2)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.35
CHRNA4 P43681 6/20 0.35
CHRNB4 P30926 6/20 0.35
CHRNA3 P32297 6/20 0.35
EGFR P00533 1/20 0.35
PTGS2 P35354 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5034038 0.87 CYP2D6 (0.33) CYP1A2CYP2D6
SCHEMBL5371345 0.86 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5041497 0.86 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5041551 0.84 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5043607 0.84 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5036777 0.82 CD4 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3PTGS2
SCHEMBL5038447 0.82 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL5034210 0.82 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5037373 0.81 CHRNB2 (0.36) CHRNB2CHRNA4RAB9ACYP1A2CYP2D6
SCHEMBL5038439 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 CHRNB2 29/4885CHRNA4 14/4885CHRNB4 37/4885

“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.