SCHEMBL20073036

SCHEMBL20073036

CC(C)(C)OC(=O)N[C@H]1CC=C(C(F)(F)F)C[C@@H]1N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM1A O60341 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL20063844 1.00 CHRNA7 (0.37) CHRNA7HDAC4HDAC6NFKB1NFKB2
SCHEMBL21838549 0.78 NFKB1 (0.40) HDAC4HDAC6NFKB1NFKB2RELA
SCHEMBL20072993 0.78 NFKB1 (0.40) HDAC4HDAC6NFKB1NFKB2RELA
SCHEMBL20072874 0.77 BTK (0.41) HDAC4HDAC6NFKB1NFKB2RELA
SCHEMBL20063738 0.76 CHRNA7 (0.55) CHRNA7GAA
SCHEMBL20072764 0.76 NFKB1 (0.38) HDAC4HDAC6NFKB1NFKB2RELA
SCHEMBL424987 0.74 CHRNA7 (0.50) CHRNA7NFKB1NFKB2RELAL3MBTL1
SCHEMBL424988 0.74 CHRNA7 (0.50) CHRNA7NFKB1NFKB2RELAL3MBTL1
SCHEMBL10189601 0.74 CHRNA7 (0.50) CHRNA7NFKB1NFKB2RELAL3MBTL1
SCHEMBL421147 0.74 CHRNA7 (0.53) CHRNA7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CHRNA7 2850/4885HDAC4 1679/4885HDAC6 1003/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 CHRNA7 2850/4885HDAC4 1679/4885HDAC6 1003/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CHRNA7 2916/4885HDAC4 1841/4885HDAC6 1108/4885

“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.