SCHEMBL5368965

SCHEMBL5368965

N#Cc1cc(N2[C@@H]3CCNC[C@H]2CC3)cnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.44
CHRNB4 P30926 11/20 0.44
CHRNA3 P32297 11/20 0.44
CHRNA4 P43681 11/20 0.44
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1654966 1.00 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4AR
SCHEMBL5379656 0.88 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5372553 0.88 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5372398 0.85 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4AR
SCHEMBL5372402 0.85 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4AR
SCHEMBL5372515 0.83 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5372486 0.83 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5375927 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5369066 0.81 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5375696 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4

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 29/4885CHRNB4 37/4885CHRNA3 23/4885

“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.