SCHEMBL5376133

SCHEMBL5376133

c1cncc(N2CC[C@H]3CC[C@@H](C2)N3)c1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.85
CHRNA4 P43681 12/20 0.85
CHRNB4 P30926 6/20 0.57
CHRNA3 P32297 6/20 0.57
CHRNA7 P36544 2/20 0.51
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL231423 1.00 CHRNB2 (0.85) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5367927 1.00 CHRNB2 (0.85) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5371052 0.92 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5036696 0.90 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3573211 0.86 CHRNB2 (0.88) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5043508 0.83 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2963312 0.76 CHRNB2 (0.76) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5375117 0.76 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5379266 0.76 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4719579 0.76 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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.