SCHEMBL5038499

SCHEMBL5038499

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2CC1CN(Cc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 6/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.46
MCOLN3 Q8TDD5 1/20 0.44
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL18177873 0.75 KMT2A (1.00) POLBKMT2AALDH1A1KDM4EPKM
SCHEMBL7570506 0.73 ALDH1A1 (0.56) POLBKMT2AALDH1A1LMNAPKM
SCHEMBL3423541 0.73 ACHE (0.62) POLBKMT2AALDH1A1LMNAPKM
SCHEMBL18794812 0.72 ALDH1A1 (0.69) POLBKMT2AALDH1A1LMNAPKM
SCHEMBL10480299 0.70 HSD11B1 (0.49) POLBLMNAACHE
SCHEMBL2476278 0.70 ALDH1A1 (0.65) POLBKMT2AALDH1A1LMNAKDM4E
SCHEMBL4318880 0.69 HSD11B1 (0.65) KMT2AALDH1A1MEN1
SCHEMBL1791317 0.69 KMT2A (0.58) POLBKMT2AALDH1A1LMNAPKM
SCHEMBL30253420 0.69 ALDH1A1 (0.51) POLBKMT2AALDH1A1LMNAPKM
SCHEMBL18114443 0.69 POLB (0.56) POLBKMT2AALDH1A1LMNAKDM4E

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 POLB 4480/4885KMT2A 2236/4885ALDH1A1 290/4885

“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.