SCHEMBL799520

SCHEMBL799520

CN1CCCC(N(C)S(C)(=O)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR2A P28223 12/20 0.35
HTR2C P28335 12/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL12439352 0.89 HTR2A (0.44) SLC6A2HTR2AHTR2CL3MBTL1ALDH1A1
SCHEMBL8319596 0.89 HTR2A (0.44) SLC6A2HTR2AHTR2CL3MBTL1ALDH1A1
SCHEMBL799374 0.89 HTR2A (0.44) SLC6A2HTR2AHTR2CL3MBTL1ALDH1A1
SCHEMBL2743279 0.80 HTR2A (0.33) SLC6A2HTR2AHTR2CL3MBTL1ALDH1A1
SCHEMBL13860754 0.77 SIGMAR1 (0.38) SIGMAR1HTR2AHTR2CL3MBTL1
SCHEMBL799397 0.76 HTR2A (0.54) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL24721280 0.76 SIGMAR1 (0.42) SIGMAR1HTR2AL3MBTL1
SCHEMBL690716 0.76 SIGMAR1 (0.42) SIGMAR1HTR2AL3MBTL1
SCHEMBL13935740 0.76 SIGMAR1 (0.42) SIGMAR1HTR2AL3MBTL1
SCHEMBL15867020 0.75 ALDH1A1 (0.47) L3MBTL1ALDH1A1LMNAGAAMEN1

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-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
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 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 (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-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 SIGMAR1 2789/4885SLC6A2 3739/4885HTR2A 2842/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 SIGMAR1 2357/4885SLC6A2 3761/4885HTR2A 4345/4885

“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.