SCHEMBL20063770

SCHEMBL20063770

CCCN[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 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM1A O60341 2/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR5A P47898 1/20 0.33
BTK Q06187 1/20 0.33
GAA P10253 2/20 0.32
RORC P51449 2/20 0.32
EPHX2 P34913 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
SCHEMBL20063772 0.84 MAOB (0.38) MAOBMAOANFKB1NFKB2RELA
SCHEMBL20072805 0.84 HDAC4 (0.37) HDAC4HDAC6MAOBMAOANFKB1
SCHEMBL21838549 0.79 NFKB1 (0.40) HDAC4HDAC6MAOBMAOANFKB1
SCHEMBL20072993 0.79 NFKB1 (0.40) HDAC4HDAC6MAOBMAOANFKB1
SCHEMBL20063773 0.78 MAOB (0.37) HDAC4HDAC6MAOBMAOANFKB1
SCHEMBL20072874 0.78 BTK (0.41) HDAC4HDAC6MAOBMAOANFKB1
SCHEMBL20072764 0.77 NFKB1 (0.38) HDAC4HDAC6MAOBMAOANFKB1
SCHEMBL20072766 0.74 NFKB1 (0.36) HDAC4HDAC6MAOBMAOANFKB1
SCHEMBL20063844 0.73 CHRNA7 (0.37) HDAC4HDAC6NFKB1NFKB2RELA
SCHEMBL20073036 0.73 CHRNA7 (0.37) HDAC4HDAC6NFKB1NFKB2RELA

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 HDAC4 1841/4885HDAC6 1108/4885MAOB 2113/4885

“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.