SCHEMBL5043771

SCHEMBL5043771

Clc1nnc(N2C[C@H]3C[C@@H]2CN3)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
HRH4 Q9H3N8 1/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL5375770 1.00 CHRNB2 (0.50) CHRNB2CHRNA4HRH4MEN1GFER
SCHEMBL5036712 0.84 CHRNB2 (0.42) CHRNB2CHRNA4HRH4MEN1GFER
SCHEMBL1090529 0.82 ALDH1A1 (0.51) HRH4MEN1KMT2A
SCHEMBL5043614 0.75 CHRNA7 (0.47) HRH4MEN1GFERKMT2A
SCHEMBL5370722 0.75 CHRNA7 (0.47) HRH4MEN1GFERKMT2A
SCHEMBL1090144 0.74 MEN1 (0.46) MEN1GFERKMT2A
SCHEMBL1102302 0.74 MEN1 (0.46) MEN1GFERKMT2A
SCHEMBL1102307 0.74 MEN1 (0.46) MEN1GFERKMT2A
SCHEMBL1090146 0.74 MEN1 (0.46) MEN1GFERKMT2A
SCHEMBL14000711 0.74 MEN1 (0.46) MEN1GFERKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US claimed
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
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

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 14/4885HRH4 2000/4885

“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.