SCHEMBL5747485

SCHEMBL5747485

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GPR119 Q8TDV5 4/20 0.41
CYP2C19 P33261 1/20 0.41
LNPEP Q9UIQ6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN2B Q13224 4/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
ENPP2 Q13822 1/20 0.38

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
SCHEMBL3225484 0.88 HSD11B1 (0.41) HSD11B1SMN1; SMN2NPC1RAB9AGPR119
SCHEMBL4299522 0.88 HSD11B1 (0.44) HSD11B1SMN1; SMN2NPC1RAB9AGPR119
SCHEMBL13167708 0.87 LMNA (0.46) HSD11B1
SCHEMBL11999874 0.84 HSD11B1 (0.38) HSD11B1GPR119MAPTNR1H4
SCHEMBL3327472 0.84 HSD11B1 (0.37) HSD11B1NR1H4
SCHEMBL3367036 0.84 HTR2C (0.40) HSD11B1RAB9ALNPEPNPSR1NR1H4
SCHEMBL3328621 0.83 HSD11B1 (0.37) HSD11B1NPSR1NR1H4
SCHEMBL10313823 0.82 HSD11B1 (0.41) HSD11B1MAPTNR1H4
SCHEMBL2799351 0.82 PIK3CA (0.37) HSD11B1GPR119CYP2C19MAPTNR1H4
SCHEMBL12090865 0.81 HSD11B1 (0.37) HSD11B1GPR119NR1H4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG HSD11B1 4515/4885SMN1; SMN2 2706/4885NPC1 660/4885

“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.