SCHEMBL20469356

SCHEMBL20469356

CC(C)(C)C(=O)N1CC[C@@](C)(O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
HSD11B1 P28845 1/20 0.36
EPHX2 P34913 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.33
OPRD1 P41143 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GRM3 Q14832 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDK2 Q15119 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL20469357 1.00 CYP3A4 (0.38) CYP3A4ALDH1A1HTTHSD11B1EPHX2
SCHEMBL13223564 1.00 CYP3A4 (0.38) CYP3A4ALDH1A1HTTHSD11B1EPHX2
SCHEMBL22991226 0.89 RIPK1 (0.38) CYP3A4ALDH1A1HTTHSD11B1EPHX2
SCHEMBL13223563 0.88 CYP3A4 (0.43) CYP3A4ALDH1A1HTTHSD11B1EPHX2
SCHEMBL17177141 0.83 SPR (0.38) CYP3A4ALDH1A1HTTHSD11B1EPHX2
SCHEMBL15617801 0.83 MEN1 (0.33) CYP3A4ALDH1A1HTTEPHX2MEN1
SCHEMBL12661420 0.82 HSD11B1 (0.35) CYP3A4HSD11B1EPHX2CNR2
SCHEMBL27906724 0.79 HRH3 (0.35) ALDH1A1MEN1KMT2AGRM3CNR2
SCHEMBL15490628 0.78 SPR (0.42) CYP3A4ALDH1A1HTTHSD11B1EPHX2
SCHEMBL18701846 0.78 HSD11B1 (0.50) CYP3A4ALDH1A1HTTHSD11B1EPHX2

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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP CYP3A4 677/4885ALDH1A1 1466/4885HTT 2229/4885

“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.