SCHEMBL20063884

SCHEMBL20063884

Cc1ccc(C2CCC(NC(=O)OC(C)(C)C)[C@@H](N(C)C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
PDE4B Q07343 2/20 0.37
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.34
GAA P10253 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
EPHX2 P34913 1/20 0.33
DGAT1 O75907 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL20063890 1.00 KDM1A (0.45) KDM1AMAOBMAOAPDE4BNFKB1
SCHEMBL20063893 0.89 KDM1A (0.55) KDM1AMAOBMAOAPDE4BNFKB1
SCHEMBL20072884 0.88 SCN9A (0.42) KDM1AMAOBMAOAGAAHDAC4
SCHEMBL20073175 0.88 SCN9A (0.42) KDM1AMAOBMAOAGAAHDAC4
SCHEMBL21306642 0.87 KDM1A (0.45) KDM1AMAOBMAOAPDE4BKMT2A
SCHEMBL21306752 0.87 KDM1A (0.45) KDM1AMAOBMAOAPDE4BKMT2A
SCHEMBL20063871 0.86 KDM1A (0.48) KDM1AMAOBMAOAPDE4BKMT2A
SCHEMBL21838607 0.86 KDM1A (0.48) KDM1AMAOBMAOAPDE4BKMT2A
SCHEMBL20063862 0.86 KDM1A (0.48) KDM1AMAOBMAOAPDE4BKMT2A
SCHEMBL28494276 0.84 SCN9A (0.44) KDM1AMAOBMAOAPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KDM1A 2873/4885MAOB 2113/4885MAOA 3140/4885

“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.