SCHEMBL4257940

SCHEMBL4257940

CCOC(=O)CN1C(C)CN(C(=O)O)CC1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 5/20 0.36
ELANE P08246 1/20 0.36
MAPK1 P28482 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 1/20 0.34
LMNA P02545 2/20 0.34
PIN1 Q13526 1/20 0.34
PIN4 Q9Y237 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL21876568 1.00 HSD11B1 (0.38) HSD11B1GSK3AGSK3BMGAMGAA
SCHEMBL29153128 0.83 TSHR (0.37) MGAMGAASIMGAM2KDM4E
SCHEMBL29153129 0.83 TSHR (0.37) MGAMGAASIMGAM2KDM4E
SCHEMBL2663490 0.83 GSK3A (0.40) HSD11B1GSK3AGSK3BMGAMGAA
SCHEMBL13744392 0.80 NR1H2 (0.44) HSD11B1ALDH1A1ELANEKDM4ETSHR
SCHEMBL3828337 0.80 CHRM1 (0.40) HSD11B1GSK3AGSK3BALDH1A1ELANE
SCHEMBL3832320 0.80 CHRM1 (0.40) HSD11B1GSK3AGSK3BALDH1A1ELANE
SCHEMBL22128751 0.79 NR1H2 (0.36) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4085410 0.77 ALDH1A1 (0.43) HSD11B1GSK3AGSK3BMGAMGAA
SCHEMBL4085412 0.77 ALDH1A1 (0.43) HSD11B1GSK3AGSK3BMGAMGAA

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-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 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-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B HSD11B1 2692/4885GSK3A 1934/4885GSK3B 1947/4885

“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.