SCHEMBL13624258

SCHEMBL13624258

CC(C)(C)OC(=O)CCC[C@H](N)CNc1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 13/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 0.79 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13624252 0.76 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13624246 0.75 CTSL (0.53) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL4368253 0.73 GAA (0.52) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4368258 0.73 GAA (0.52) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13624263 0.73 GAA (0.43) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13624265 0.72 CTSL (0.54) MAPTSMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL13624264 0.71 CTSL (0.53) SMN1; SMN2L3MBTL1LMNAMAPK1
SCHEMBL13624260 0.71 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13624250 0.71 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1

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 ALDH1A1 2506/4885MAPT 480/4885SMN1; SMN2 4525/4885

“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.