SCHEMBL5511049

SCHEMBL5511049

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(O)c3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
FASN P49327 1/20 0.50
HDAC4 P56524 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
MAOB P27338 1/20 0.48
CNR2 P34972 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL1374093 0.86 MEN1 (0.68) MEN1KMT2AFASNHDAC4ABL1
SCHEMBL23709495 0.84 KMT2A (0.69) MEN1KMT2AFASNHDAC4ABL1
SCHEMBL4920109 0.84 FASN (0.66) MEN1KMT2AFASNHDAC4ALDH1A1
SCHEMBL3900270 0.82 KMT2A (0.70) MEN1KMT2AFASNHDAC4ABL1
SCHEMBL20645672 0.81 KMT2A (0.58) MEN1KMT2AFASNHDAC4ABL1
SCHEMBL8252454 0.81 KMT2A (0.72) MEN1KMT2AFASNHDAC4ABL1
SCHEMBL5537347 0.79 KMT2A (0.70) MEN1KMT2AHDAC4ABL1RIN1
SCHEMBL29188760 0.79 KMT2A (0.70) MEN1KMT2AHDAC4ABL1RIN1
SCHEMBL27980820 0.79 CKS1B (0.57) GPR119
SCHEMBL3926523 0.79 MAOB (0.60) MEN1KMT2AMAOBALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 WO 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK MEN1 3048/4885KMT2A 3763/4885FASN 1945/4885

“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.