SCHEMBL20063705

SCHEMBL20063705

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.35
SCN9A Q15858 4/20 0.34
CTSK P43235 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
GAA P10253 2/20 0.33
EPHX1 P07099 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
SCHEMBL20073158 1.00 BTK (0.39) BTKKDM1AMAOBMAOASCN9A
SCHEMBL20063757 1.00 BTK (0.39) BTKKDM1AMAOBMAOASCN9A
SCHEMBL20063775 0.85 MAOB (0.36) BTKKDM1AMAOBMAOASCN9A
SCHEMBL20063700 0.82 BTK (0.41) BTKKDM1AMAOBMAOACTSK
SCHEMBL20063754 0.82 BTK (0.41) BTKKDM1AMAOBMAOACTSK
SCHEMBL20063703 0.81 BTK (0.47) BTKKDM1AMAOBMAOACTSK
SCHEMBL20072953 0.79 SCN9A (0.33) BTKMAOBMAOASCN9AHDAC4
SCHEMBL24062328 0.77 BTK (0.44) BTKKDM1AMAOBMAOACTSK
SCHEMBL20073175 0.75 SCN9A (0.42) KDM1AMAOBMAOASCN9AHDAC4
SCHEMBL20072884 0.75 SCN9A (0.42) KDM1AMAOBMAOASCN9AHDAC4

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-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 BTK 647/4885KDM1A 2698/4885MAOB 2190/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 BTK 647/4885KDM1A 2698/4885MAOB 2190/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 BTK 645/4885KDM1A 2873/4885MAOB 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.