SCHEMBL20063754

SCHEMBL20063754

C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
GAA P10253 2/20 0.35
EPHX1 P07099 1/20 0.34
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20063700 1.00 BTK (0.41) BTKKDM1AMAOBMAOANFKB1
SCHEMBL20063768 0.84 CA12 (0.38) BTKKDM1AMAOBMAOANFKB1
SCHEMBL20063757 0.82 BTK (0.39) BTKKDM1AMAOBMAOANFKB1
SCHEMBL20063705 0.82 BTK (0.39) BTKKDM1AMAOBMAOANFKB1
SCHEMBL20073158 0.82 BTK (0.39) BTKKDM1AMAOBMAOANFKB1
SCHEMBL24062328 0.80 BTK (0.44) BTKKDM1AMAOBMAOANFKB1
SCHEMBL5315178 0.80 BTK (0.44) BTKKDM1AMAOBMAOANFKB1
SCHEMBL13813883 0.80 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL20063702 0.79 BTK (0.50) BTKKDM1AMAOBMAOANFKB1
SCHEMBL23096323 0.79 BTK (0.43) BTKKDM1AMAOBMAOANFKB1

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 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.