SCHEMBL22763445

SCHEMBL22763445

C[C@H]1CN(C(C)(C)C)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
SIGMAR1 Q99720 4/20 0.35
EBP Q15125 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL22763446 1.00 PDK1 (0.38) PDK1SIGMAR1EBPATMALDH1A1
SCHEMBL2616437 1.00 PDK1 (0.38) PDK1SIGMAR1EBPATMALDH1A1
SCHEMBL11951315 1.00 PDK1 (0.38) PDK1SIGMAR1EBPATMALDH1A1
SCHEMBL408296 0.84 ATM (0.31) ATM
SCHEMBL16219409 0.84 ATM (0.31) ATM
SCHEMBL19001151 0.84 ALDH1A1 (0.34) PDK1SIGMAR1EBPATMALDH1A1
SCHEMBL12565654 0.84 ALDH1A1 (0.34) PDK1SIGMAR1EBPATMALDH1A1
SCHEMBL21180054 0.80 PDK1 (0.32) PDK1SIGMAR1EBP
SCHEMBL23431992 0.80 EBP (0.32) PDK1SIGMAR1EBP
SCHEMBL18871961 0.79 PDK1 (0.35) PDK1SIGMAR1EBPALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2023-02-23 US disclosed
US-20200385371-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2020-12-10 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 (2 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-20200385371-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 PDK1 1157/4885SIGMAR1 3892/4885EBP 280/4885
US-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS MAN2A1, MAN2B2, ST6GAL1 PDK1 799/4885SIGMAR1 2586/4885EBP 1223/4885

“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.