SCHEMBL5056258

SCHEMBL5056258

CCC(F)OCC[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
CHRM5 P08912 6/20 0.33
CHRM1 P11229 6/20 0.33
CHRM3 P20309 6/20 0.33
CHRM2 P08172 5/20 0.33
CHRM4 P08173 5/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNA7 P36544 3/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
PGR P06401 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33

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
SCHEMBL21352710 0.77 SCN1A (0.43) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL1149415 0.75 SCN1A (0.42) SCN1ASCN2ASCN3ACHRM5CHRM1
Fluoromethane SCHEMBL27938158 0.74 SCN1A (0.38) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL12096236 0.71 SCN1A (0.39) SCN1ASCN2ASCN3ACHRM5CHRM1
Hydrochloric Acid SCHEMBL28511733 0.70 CHRM1 (0.37) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL5944501 0.69 SCN1A (0.45) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL15227423 0.68
Hydrochloric Acid SCHEMBL22409396 0.67 SCN1A (0.43) SCN1ASCN2ASCN3ACHRM5CHRM1
Hydrochloric Acid SCHEMBL28431629 0.67 SCN1A (0.43) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL13640658 0.67 SCN1A (0.36) SCN1ASCN2ASCN3ACHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-24 US claimed
CN-101094824-B Method for preparation of organofluoro compounds in alcohol solvents FUTURECHEM CO LTD (KR) 2011-07-27 CN claimed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 US claimed
CN-101094824-A Method for preparation of organofluoro compounds in alcohol solvents ASAN FOUNDATION (KR) 2007-12-26 CN claimed
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-24 US disclosed
CN-101094824-B Method for preparation of organofluoro compounds in alcohol solvents FUTURECHEM CO LTD (KR) 2011-07-27 CN disclosed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 US disclosed
CN-101094824-A Method for preparation of organofluoro compounds in alcohol solvents ASAN FOUNDATION (KR) 2007-12-26 CN 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 (2 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-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents ADH5, ADH1C, ADH1A SCN1A 1668/4885SCN2A 2667/4885SCN3A 1433/4885
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER TMEM14C, ADH1A, SELENOI SCN1A 2187/4885SCN2A 2106/4885SCN3A 1519/4885

“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.