SCHEMBL13312207

SCHEMBL13312207

CC(=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
HTT P42858 3/20 0.69
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGS2 P35354 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.49
PIK3CA P42336 2/20 0.49
PIK3R1 P27986 1/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL17501810 0.83 KDM4E (0.71) KDM4EHTTALDH1A1MAPK1L3MBTL1
SCHEMBL8973821 0.79 HTT (0.63) KDM4EHTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL9418611 0.77 HTT (0.61) KDM4EHTTALDH1A1MAPK1L3MBTL1
SCHEMBL11364292 0.76 HTT (0.61) KDM4EHTTALDH1A1MAPK1L3MBTL1
SCHEMBL9619196 0.74 KDM4E (0.58) KDM4EHTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL28604242 0.74 L3MBTL1 (0.53) KDM4EHTTALDH1A1MAPK1L3MBTL1
SCHEMBL759027 0.73 KDM4E (1.00) KDM4EHTTALDH1A1MAPK1L3MBTL1
SCHEMBL16121715 0.73 MAPT (0.57) KDM4EALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL12647466 0.71 POLB (0.73) KDM4EHTTALDH1A1PTGS2SMN1; SMN2
SCHEMBL1707681 0.71 KMT2A (0.79) HTTALDH1A1MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC KDM4E 1730/4885HTT 2622/4885ALDH1A1 772/4885

“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.