Trimethylammonium

Trimethylammonium

SCHEMBL387858

CCn1cccc1CI.CN(C)C

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL387025 0.80 LMNA (0.42)
SCHEMBL386002 0.78 ALDH1A1 (0.37) HTR2AHTR2C
SCHEMBL668145 0.76
Trimethylammonium SCHEMBL386754 0.75 CYP3A4 (0.39)
Fluoride SCHEMBL30330772 0.74 RAPGEF4 (0.38)
Hydrochloric Acid SCHEMBL30330586 0.74 RAPGEF4 (0.38)
SCHEMBL10175097 0.72 CYP2D6 (0.31)
SCHEMBL6628553 0.72
SCHEMBL7992588 0.72
SCHEMBL28418755 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT ADRA1A 467/4885HTR2A 3282/4885HTR2C 3763/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ADRA1A 2166/4885HTR2A 2770/4885HTR2C 2073/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ADRA1A 495/4885HTR2A 1571/4885HTR2C 1040/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ADRA1A 754/4885HTR2A 3250/4885HTR2C 3202/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ADRA1A 1027/4885HTR2A 1543/4885HTR2C 1554/4885

“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.