SCHEMBL5379231

SCHEMBL5379231

Clc1ncc(N2[C@@H]3CCNC[C@H]2CC3)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.52
CHRNA4 P43681 8/20 0.52
CHRNB4 P30926 6/20 0.42
CHRNA3 P32297 6/20 0.42
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
OPRM1 P35372 1/20 0.35

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
SCHEMBL5369066 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5372486 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5372515 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5375927 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3OPRM1
SCHEMBL5375696 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3OPRM1
SCHEMBL5379656 0.81 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3OPRM1
SCHEMBL5372553 0.81 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3OPRM1
SCHEMBL1654966 0.81 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5368965 0.81 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5375833 0.76 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3

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
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US claimed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP claimed
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

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.