SCHEMBL4368258

SCHEMBL4368258

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.52
RAB9A P51151 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 11/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALOX12 P18054 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 3/20 0.52
ALOX15 P16050 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.49
POLB P06746 1/20 0.47
RPS6KA3 P51812 1/20 0.46
RPS6KA2 Q15349 1/20 0.46
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL4368253 1.00 GAA (0.52) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL4377743 0.87 SMN1; SMN2 (0.50) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL4377745 0.87 SMN1; SMN2 (0.50) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL13624250 0.85 MAPT (0.58) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL13624268 0.85 MAPT (0.49) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL13624233 0.84 LGMN (0.39) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL13624252 0.83 MAPT (0.47) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL13624259 0.82 MAPT (0.46) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL23960525 0.81 MAPT (0.61) GAARAB9AL3MBTL1NPC1MAPT
SCHEMBL13624257 0.81 MAPT (0.45) GAARAB9AL3MBTL1NPC1MAPT

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 1 patent. 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

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 GAA 2184/4885RAB9A 658/4885L3MBTL1 3079/4885

“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.