SCHEMBL5036829

SCHEMBL5036829

O=C(O)N1C[C@@H]2C[C@H]1CN2c1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
CHRNB2 P17787 6/20 0.36
CHRNA4 P43681 6/20 0.36
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
HCAR2 Q8TDS4 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SLC6A7 Q99884 1/20 0.32
MAP3K12 Q12852 1/20 0.31
FAAH O00519 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL5038365 0.82 CHRNB2 (0.44) AKR1C3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5037322 0.82 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5034111 0.82 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11963203 0.82 CHRNB2 (0.44) AKR1C3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5034199 0.82 CHRNB2 (0.56) AKR1C3CHRNB2CHRNA4GPR119SLC6A7
SCHEMBL5034040 0.82 CHRNB2 (0.44) AKR1C3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6628645 0.82 CHRNB2 (0.44) AKR1C3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5043514 0.79 CHRNB2 (0.62) AKR1C3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5041416 0.79 CHRNB2 (0.62) AKR1C3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5036684 0.78 CHRNB2 (0.57) 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
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 AKR1C3 3705/4885CHRNB2 29/4885CHRNA4 14/4885

“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.