SCHEMBL12464643

SCHEMBL12464643

CC(C)(C)OC(=O)C1CC(N)(C(=O)O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.46
GRM2 Q14416 3/20 0.45
CASP1 P29466 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
GRM3 Q14832 1/20 0.40
HTR2C P28335 1/20 0.40
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FKBP1A P62942 1/20 0.39
PREP P48147 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL3471343 0.85 PDK1 (0.44) CASP1PDK1PDK2PDK3PDK4
SCHEMBL25968658 0.84 CASP1 (0.42) GRM6GRM2CASP1GRM3
SCHEMBL25345345 0.84 CASP1 (0.42) GRM6GRM2CASP1GRM3
SCHEMBL25344517 0.84 CASP1 (0.42) GRM6GRM2CASP1GRM3
SCHEMBL25344362 0.84 CASP1 (0.42) GRM6GRM2CASP1GRM3
SCHEMBL30180826 0.79 HTR2C (0.39) CASP1PDK1PDK2PDK3PDK4
SCHEMBL30863413 0.78 PREP (0.54) SMN1; SMN2FKBP1APREP
SCHEMBL16584597 0.77 FKBP1A (0.46) HTR2CFKBP1A
SCHEMBL16584596 0.77 FKBP1A (0.46) HTR2CFKBP1A
SCHEMBL31614218 0.77 FKBP1A (0.46) HTR2CFKBP1A

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-20110184171-A1 ACYLATION OF HINDERED AMINES AND FUNCTIONALIZED BIS-PEPTIDES OBTAINED THEREBY TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-07-28 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-20110184171-A1 ACYLATION OF HINDERED AMINES AND FUNCTIONALIZED BIS-PEPTIDES OBTAINED THEREBY DNPEP, PTMS, NAAA GRM6 3234/4885GRM2 4032/4885CASP1 811/4885

“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.