SCHEMBL799215

SCHEMBL799215

CN1CCC(CN(C)S(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 1/20 0.37
HTR2C P28335 10/20 0.36
HTR2A P28223 9/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4510179 0.83 JAK2 (0.39) ALDH1A1HTR2CJAK2JAK1TYK2
SCHEMBL799519 0.81 EIF2AK4 (0.39) ALDH1A1HTR2CHTR2AJAK2JAK1
SCHEMBL24571810 0.79 ALOX5 (0.38) HTR2CJAK2JAK1TYK2JAK3
SCHEMBL16886880 0.78 DAO (0.40) HTR2CJAK2JAK1TYK2JAK3
SCHEMBL19380452 0.78 DAO (0.40) HTR2CJAK2JAK1TYK2JAK3
SCHEMBL25571620 0.77 NCF1 (0.54) NCF1
SCHEMBL793180 0.74 NCF1 (0.52) NCF1ALDH1A1
SCHEMBL26665930 0.74 HTR2C (0.43) HTR2CJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL26600223 0.73 HTR2C (0.42) HTR2CJAK2JAK1TYK2JAK3
SCHEMBL12136949 0.73 MMP1 (0.38) ALDH1A1L3MBTL1MEN1KMT2A

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-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 NCF1 1614/4885ALDH1A1 2409/4885HTR2C 4349/4885

“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.