SCHEMBL20063773

SCHEMBL20063773

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM1A O60341 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1I3 Q14994 1/20 0.31
GAA P10253 2/20 0.30
EPHX2 P34913 1/20 0.30
DRD2 P14416 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
SCHEMBL20072764 0.86 NFKB1 (0.38) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL20063771 0.85 MAOB (0.39) MAOBMAOACA12CA1CA7
SCHEMBL20073009 0.85 HDAC4 (0.34) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL20063770 0.78 HDAC4 (0.37) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL21838549 0.76 NFKB1 (0.40) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL20072993 0.76 NFKB1 (0.40) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL20072874 0.75 BTK (0.41) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL20063775 0.73 MAOB (0.36) MAOBMAOACA12CA1CA7
SCHEMBL20063797 0.72 PDE4B (0.46) KMT2A
SCHEMBL20072766 0.71 NFKB1 (0.36) MAOBMAOAKDM1ANFKB1NFKB2

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.