SCHEMBL3603129

SCHEMBL3603129

CC(C)(C)NC(=O)OCC1CC(O)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
EPHX2 P34913 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CACNA1H O95180 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
GAA P10253 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
SCHEMBL28097053 0.84 CNR2 (0.36) GBA1MEN1MAPTKMT2AATM
SCHEMBL25518973 0.83 CNR2 (0.40) MEN1MAPTKMT2AATMTSHR
SCHEMBL28165217 0.83 CACNA1H (0.32) MEN1MAPTKMT2AATMEPHX2
SCHEMBL25284961 0.80 MEN1 (0.42) GBA1MEN1MAPTKMT2AATM
SCHEMBL19267841 0.80 MEN1 (0.46) MEN1MAPTKMT2AATMACACB
SCHEMBL28255026 0.79 MEN1 (0.48) MEN1MAPTKMT2AATM
SCHEMBL1367746 0.79 HDAC1 (0.38) GBA1MEN1MAPTKMT2AATM
SCHEMBL24700932 0.79 HDAC3 (0.38) GBA1MEN1MAPTKMT2AATM
SCHEMBL17444433 0.77 CNR2 (0.36) GBA1MEN1MAPTKMT2AATM
Hydrochloric Acid SCHEMBL22291356 0.77 HDAC1 (0.38) GBA1MEN1MAPTKMT2AATM

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-20100160356-A1 NOVEL CYCLOBUTYL COMPOUNDS AS KINASE INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2010-06-24 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-20100160356-A1 NOVEL CYCLOBUTYL COMPOUNDS AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 GBA1 1874/4885MEN1 1308/4885MAPT 1828/4885

“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.