SCHEMBL5043614

SCHEMBL5043614

CN1C[C@H]2C[C@@H]1CN2c1nnc(Cl)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 4/20 0.46
HRH4 Q9H3N8 2/20 0.44
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5370722 1.00 CHRNA7 (0.47) CHRNA7MEN1GFERKMT2AKCNH2
SCHEMBL5041376 0.85 PARP1 (0.41) CHRNA7MEN1GFERKMT2AKCNH2
SCHEMBL5036830 0.79 MEN1 (0.43) MEN1GFERKMT2AALDH1A1POLB
SCHEMBL5043771 0.75 CHRNB2 (0.50) MEN1GFERKMT2AHRH4
SCHEMBL5375770 0.75 CHRNB2 (0.50) MEN1GFERKMT2AHRH4
SCHEMBL9141644 0.72 HRH4 (0.45) CHRNA7KCNH2HRH4
SCHEMBL9141632 0.72 HRH4 (0.45) CHRNA7KCNH2HRH4
SCHEMBL9141638 0.72 HRH4 (0.45) CHRNA7KCNH2HRH4
SCHEMBL26235665 0.69 CHRNA7 (0.58) CHRNA7KCNH2PARP1
SCHEMBL19381894 0.69 CHRNA7 (0.58) CHRNA7KCNH2PARP1

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 CHRNA7 8/4885MEN1 500/4885GFER 2914/4885

“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.