SCHEMBL13624235

SCHEMBL13624235

CCOC(=O)C1(C)CCN(c2ccc(NC[C@@H](N)CC)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 5/20 0.37
TP53 P04637 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
OPRM1 P35372 4/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36

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
SCHEMBL13624231 0.79 MAPT (0.56) KMT2AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL13624223 0.79 MAPT (0.49) KMT2AMAPTLMNAKDM4EGAA
SCHEMBL28704750 0.76 OPRM1 (0.55) KMT2AMEN1MAPTLMNAGAA
SCHEMBL2946650 0.75 USP2 (0.48) MAPTLMNAKDM4EGAASMN1; SMN2
SCHEMBL4377743 0.74 SMN1; SMN2 (0.50) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL4377745 0.74 SMN1; SMN2 (0.50) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL981749 0.74 MAPT (0.44) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL3315322 0.74 CYP2C9 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL4368253 0.73 GAA (0.52) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL4368258 0.73 GAA (0.52) KMT2AMEN1MAPTLMNAKDM4E

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 KMT2A 3986/4885MEN1 1994/4885MAPT 480/4885

“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.