SCHEMBL13624253

SCHEMBL13624253

N[C@@H](CCOCc1ccccc1)CNc1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
CTSL P07711 6/20 0.46
CTSK P43235 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSB P07858 5/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
ALOX12 P18054 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL13624246 0.82 CTSL (0.53) L3MBTL1CTSLCTSKSMN1; SMN2MAPT
SCHEMBL13624267 0.81 CTSL (0.56) L3MBTL1CTSLCTSKSMN1; SMN2MAPT
SCHEMBL13624247 0.80 CTSL (0.54) L3MBTL1CTSLCTSKSMN1; SMN2MAPT
SCHEMBL13624265 0.79 CTSL (0.54) L3MBTL1CTSLCTSKSMN1; SMN2MAPT
SCHEMBL13624266 0.79 CTSL (0.60) L3MBTL1CTSLCTSKSMN1; SMN2MAPT
SCHEMBL13624264 0.78 CTSL (0.53) L3MBTL1CTSLCTSKSMN1; SMN2CTSB
SCHEMBL13624252 0.77 MAPT (0.47) L3MBTL1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL13624260 0.76 MAPT (0.44) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13624257 0.75 MAPT (0.45) L3MBTL1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL4368253 0.74 GAA (0.52) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A

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 L3MBTL1 3079/4885CTSL 24/4885CTSK 15/4885

“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.