SCHEMBL13624252

SCHEMBL13624252

N[C@@H](CCO)CNc1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
GAA P10253 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALOX12 P18054 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RPS6KA3 P51812 1/20 0.44
RPS6KA2 Q15349 1/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL13624257 0.92 MAPT (0.45) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL4368253 0.83 GAA (0.52) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL4368258 0.83 GAA (0.52) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL13624260 0.83 MAPT (0.44) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL13624250 0.82 MAPT (0.58) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL13624259 0.82 MAPT (0.46) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL13624263 0.80 GAA (0.43) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL13624268 0.80 MAPT (0.49) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL22163952 0.77 MAPT (0.55) MAPTGAAALDH1A1SMN1; SMN2ALOX12
SCHEMBL28143501 0.77 MAPT (0.49) MAPTGAAALDH1A1SMN1; SMN2ALOX12

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MAPT 480/4885GAA 2184/4885ALDH1A1 2506/4885

“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.