SCHEMBL13624250

SCHEMBL13624250

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
GAA P10253 7/20 0.58
ALDH1A1 P00352 7/20 0.58
ALOX12 P18054 4/20 0.58
MAPK1 P28482 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
ALOX15 P16050 3/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
TP53 P04637 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 2/20 0.51
RPS6KA3 P51812 1/20 0.48
RPS6KA2 Q15349 1/20 0.48
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 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
SCHEMBL23960525 0.87 MAPT (0.61) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL4368253 0.85 GAA (0.52) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL4368258 0.85 GAA (0.52) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL30874657 0.84 MAPT (0.58) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL13624252 0.82 MAPT (0.47) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL13624268 0.81 MAPT (0.49) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL28143501 0.79 MAPT (0.49) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL13624259 0.79 MAPT (0.46) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL4368142 0.78 GAA (0.62) MAPTGAAALDH1A1ALOX12MAPK1
SCHEMBL27638671 0.78 MAPT (0.58) MAPTGAAALDH1A1ALOX12MAPK1

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.