SCHEMBL6507032

SCHEMBL6507032

CC(C)(C)[C@@]1(C(=O)NC2CCCCC2)C[C@@H](O)CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
EPHX1 P07099 8/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPK1 P28482 1/20 0.33
DUSP3 P51452 1/20 0.33

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
SCHEMBL6504979 0.77 EPHX2 (0.40) EPHX1EPHX2
SCHEMBL1020673 0.74
SCHEMBL2495601 0.72
SCHEMBL4488890 0.72
SCHEMBL2499446 0.72
SCHEMBL17505973 0.69 FPR2 (0.40) MEN1KMT2AHPGD
SCHEMBL3947021 0.66
SCHEMBL28823642 0.66
SCHEMBL4885909 0.66
SCHEMBL25273488 0.65 HSD11B1 (0.31) MEN1KMT2AALDH1A1

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-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 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-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 GAA 1609/4885MEN1 1602/4885KMT2A 3470/4885

“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.