SCHEMBL5375862

SCHEMBL5375862

C#Cc1cc(N2C[C@@H]3CN[C@@H](C3)C2)cnc1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.48
CHRNA4 P43681 14/20 0.48
CHRNB4 P30926 11/20 0.38
CHRNA3 P32297 11/20 0.38
CHRNA7 P36544 4/20 0.33
ROCK2 O75116 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
SCHEMBL5371318 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5379584 0.90 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5375824 0.90 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5375806 0.86 CHRNA4 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5389025 0.85 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5370682 0.85 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5371085 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3ROCK2
SCHEMBL5373879 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3ROCK2
SCHEMBL7145994 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3ROCK2
SCHEMBL5379291 0.81 CHRNB2 (0.47) 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.