SCHEMBL23918634

SCHEMBL23918634

CN(CCOI)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
HDAC6 Q9UBN7 2/20 0.34
CA14 Q9ULX7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
GBA1 P04062 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL10260946 0.83 HDAC6 (0.40) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL17407114 0.82 PDK2 (0.40) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL22276510 0.82 PDK2 (0.40) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL22276649 0.82 PDK2 (0.40) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL1714516 0.82 PDK2 (0.40) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL1712653 0.82 HDAC6 (0.37) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL19148676 0.81 CHRNB2 (0.39) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL1040957 0.81 PDK2 (0.39) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL25364450 0.80 PDK2 (0.37) PDK2HDAC6CA14HDAC1HDAC2
SCHEMBL4613481 0.80 HDAC6 (0.36) PDK2HDAC6CA14HDAC1HDAC2

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-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2021-10-14 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-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND CRBN, CLNS1A, ADRM1 PDK2 508/4885HDAC6 89/4885CA14 3274/4885

“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.