SCHEMBL20063771

SCHEMBL20063771

CCCN(C)[C@H]1CC(C)=CCC1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
KDM1A O60341 2/20 0.36
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
NR1I3 Q14994 1/20 0.32
EPHX2 P34913 1/20 0.32
DRD2 P14416 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30

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
SCHEMBL20063773 0.85 MAOB (0.37) MAOBMAOACA12CA1CA7
SCHEMBL20063686 0.85 NFKB1 (0.40) MAOBMAOANFKB1NFKB2RELA
SCHEMBL20063755 0.85 NFKB1 (0.40) MAOBMAOANFKB1NFKB2RELA
SCHEMBL20063772 0.77 MAOB (0.38) MAOBMAOACA1NFKB1NFKB2
SCHEMBL20063769 0.74 NFKB1 (0.42) MAOBMAOANFKB1NFKB2RELA
SCHEMBL20063690 0.74 NFKB1 (0.42) MAOBMAOANFKB1NFKB2RELA
SCHEMBL2630499 0.73 NFKB1 (0.46) MAOBCA1NFKB1NFKB2RELA
SCHEMBL22199165 0.73 NFKB1 (0.46) MAOBCA1NFKB1NFKB2RELA
SCHEMBL2630501 0.73 NFKB1 (0.46) MAOBCA1NFKB1NFKB2RELA
SCHEMBL20063768 0.73 CA12 (0.38) MAOBMAOACA12CA1CA7

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 MAOB 2113/4885MAOA 3140/4885CA12 1829/4885

“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.