SCHEMBL5380119

SCHEMBL5380119

O=[N+]([O-])c1ccc(N2CC3CCC(C2)N3)cn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
RAB9A P51151 1/20 0.63
CHRNB2 P17787 5/20 0.60
CHRNA4 P43681 5/20 0.60
CHRNB4 P30926 4/20 0.60
CHRNA3 P32297 4/20 0.60
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL31072982 1.00 MAPT (0.64) MAPTRAB9ACHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL5036857 0.99 MAPT (0.63) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL29437403 0.83 MAPT (0.72) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL21541940 0.83 MAPT (0.72) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL2725735 0.83 MAPT (0.72) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL29742107 0.81 MAPT (0.69) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL1392965 0.81 MAPT (0.89) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL161270 0.81 MAPT (0.69) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL18053605 0.80 MAPT (0.71) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL23104683 0.79 MAPT (0.63) MAPTRAB9ACHRNB2CHRNA4CHRNB4

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 4 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
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 MAPT 2125/4885RAB9A 579/4885CHRNB2 29/4885

“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.