SCHEMBL5041464

SCHEMBL5041464

c1ccc(CN2CC3CC(C2)N(c2cccnc2)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.55
CHRNA4 P43681 8/20 0.55
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA7 P36544 2/20 0.42
HSD11B1 P28845 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL3043200 0.80 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3TP53
SCHEMBL2178280 0.79 OPRM1 (0.60) CHRNB2CHRNA4TP53MDM2OPRM1
SCHEMBL16707802 0.79 HSD11B1 (0.47) HSD11B1CHRM2CHRM4CHRM5OPRM1
SCHEMBL2956443 0.76 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19852037 0.73 OPRM1 (0.50) OPRM1
SCHEMBL21071992 0.73 OPRM1 (0.50) OPRM1
SCHEMBL2955795 0.72 FUCA1 (0.60) CHRM2CHRM4CHRM5
SCHEMBL5036621 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5375850 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5379489 0.72 CHRNB2 (1.00) 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
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.