SCHEMBL3134328

SCHEMBL3134328

C[N+](C)(C)CCOc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
TSHR P16473 3/20 0.47
ESR1 P03372 2/20 0.45
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
LMNA P02545 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
SCHEMBL12743793 0.86 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9187580 0.86 CHRNB4 (0.47) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL14571064 0.85 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL18624978 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4527668 0.83 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL16376096 0.83 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL3134320 0.83 CA12 (0.49) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL18087455 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL19887236 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7368029 0.81 CA12 (0.66) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687546-B2 Quaternary ammonium compound, process for producing the same, therapeutic agent for cerebrovascular disorder, and therapeutic agent for heart disease ACTIVUS PHARMA CO., LTD. (JP) 2010-03-30 US disclosed
US-20080269345-A1 Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-10-30 US 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-20080269345-A1 Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease HRH4, KCNH3, ARGLU1 CHRNB4 1033/4885CHRNA3 991/4885CHRNA7 1101/4885

“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.