SCHEMBL3225490

SCHEMBL3225490

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)[C@H]1CCN(C(=O)O)C(Cc2ccccc2)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.36
NR1H4 Q96RI1 1/20 0.35
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.34
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
POLB P06746 1/20 0.31
CHRM5 P08912 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
SCHEMBL3230322 0.79 KCNH2 (0.35) NR1H4HSD11B1MAPTLMNATP53
SCHEMBL4136545 0.79 KCNH2 (0.35) NR1H4HSD11B1MAPTLMNATP53
SCHEMBL3225484 0.79 HSD11B1 (0.41) NR1H4HSD11B1MAPTAAK1
SCHEMBL13167708 0.78 LMNA (0.46) HSD11B1LMNATP53UBE2MDCUN1D1
SCHEMBL5747485 0.76 HSD11B1 (0.45) NR1H4HSD11B1MAPT
SCHEMBL10313823 0.76 HSD11B1 (0.41) CETPNR1H4HSD11B1MAPTHTR2C
SCHEMBL12090974 0.75 NPC1 (0.33) HTR2CSLC6A4TSHR
SCHEMBL3223462 0.73 KCNH2 (0.32) SLC6A4
SCHEMBL10313858 0.73 KCNH2 (0.32) SLC6A4
SCHEMBL3001869 0.73 SIGMAR1 (0.42) CETPHSD11B1

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 CETP 3465/4885NR1H4 2351/4885HSD11B1 4182/4885

“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.