SCHEMBL918205

SCHEMBL918205

CN(C)CCC(N(C)C)S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 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
SCHEMBL1573362 0.79 HDAC1 (0.37) HTR2AHRH1
SCHEMBL28006708 0.77 GABRR1 (0.33)
SCHEMBL1573668 0.74 ALDH1A1 (0.32) ALDH1A1MAPTHTR2AHRH1
SCHEMBL353734 0.74 TP53 (0.34) ALDH1A1MAPTHTR2AHRH1
SCHEMBL29107349 0.73 TP53 (0.32)
SCHEMBL527878 0.73
Water SCHEMBL27934112 0.73 TP53 (0.33) ALDH1A1MAPTHTR2AHRH1
SCHEMBL776175 0.72 TP53 (0.47) MAPT
SCHEMBL11710261 0.72 TP53 (0.47) MAPT
Water SCHEMBL29635525 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
CN-101597196-A Improved drug candidate and preparation method thereof BELLUS HEALTH INTERNAT LTD (CH) 2009-12-09 CN disclosed
CN-100528840-C Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2009-08-19 CN disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
CN-1839117-A Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2006-09-27 CN disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 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 (3 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS ALDH1A1 78/4885MAPT 597/4885HTR2A 4327/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS ALDH1A1 78/4885MAPT 597/4885HTR2A 4327/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS ALDH1A1 78/4885MAPT 597/4885HTR2A 4327/4885

“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.