SCHEMBL20063804

SCHEMBL20063804

CC(C)(C)OC(=O)N[C@H]1CC=C(c2ccccc2F)C[C@@H]1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.38
EPHX2 P34913 1/20 0.37
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCKAR P32238 2/20 0.34
CCKBR P32239 2/20 0.34
IDO1 P14902 1/20 0.34
ACLY P53396 1/20 0.34
MAOA P21397 1/20 0.33
SCN9A Q15858 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL20063868 0.78 KDM1A (0.39) KDM1AMAOBEPHX2NFKB1NFKB2
SCHEMBL20063878 0.78 KDM1A (0.39) KDM1AMAOBEPHX2NFKB1NFKB2
SCHEMBL20072855 0.77 HDAC4 (0.42) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL20072993 0.77 NFKB1 (0.40) KDM1AMAOBEPHX2NFKB1NFKB2
SCHEMBL21838549 0.77 NFKB1 (0.40) KDM1AMAOBEPHX2NFKB1NFKB2
SCHEMBL21306910 0.77 POLB (0.44) KDM1AMAOBEPHX2NFKB1NFKB2
SCHEMBL21306729 0.76 KAT6A (0.38) KDM1AMAOBEPHX2NFKB1NFKB2
SCHEMBL21838623 0.76 RXFP1 (0.40) KDM1AMAOBMAOASCN9A
SCHEMBL20063728 0.76 RXFP1 (0.40) KDM1AMAOBMAOASCN9A
SCHEMBL21838612 0.76 CTSB (0.37) KDM1AMAOBEPHX2NFKB1NFKB2

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 6 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
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 KDM1A 2698/4885MAOB 2190/4885EPHX2 454/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 KDM1A 2698/4885MAOB 2190/4885EPHX2 454/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KDM1A 2873/4885MAOB 2113/4885EPHX2 433/4885

“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.