SCHEMBL3138707

SCHEMBL3138707

COC(=O)c1ccc(OCC[N+](C)(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
RAB9A P51151 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR1 P03372 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL1951546 0.87 MAPT (1.00) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL2469151 0.85 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL5054312 0.84 MAPT (0.85) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL3139692 0.83 TDP1 (0.61) MAPTL3MBTL1TDP1CA1CA2
SCHEMBL3152156 0.82 PKM (0.65) L3MBTL1ESR1
SCHEMBL2341097 0.82 MAPT (0.82) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL386165 0.82 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL7937774 0.82 MAPT (0.82) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL64651 0.82 MAPT (0.82) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL14274445 0.82 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1CA1

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 MAPT 2907/4885RAB9A 634/4885L3MBTL1 2018/4885

“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.