SCHEMBL6794841

SCHEMBL6794841

COc1cc2c(cc1-c1cccc(C(=O)O)c1)-c1nn(CCCNC(=O)OC(C)(C)C)c(C(=O)O)c1CC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
FAAH O00519 4/20 0.36
DRD3 P35462 4/20 0.36
SUCNR1 Q9BXA5 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ATM Q13315 2/20 0.35
BRD4 O60885 3/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL6788891 0.92 DRD2 (0.39) DRD2FAAHDRD3BRD4
SCHEMBL6791129 0.91 DRD2 (0.40) DRD2FAAHDRD3SUCNR1CYP11B1
SCHEMBL6800434 0.91 DRD2 (0.38) DRD2DRD3CYP11B1CYP11B2BRD4
SCHEMBL6794635 0.90 DRD2 (0.38) DRD2DRD3CYP11B1CYP11B2BRD4
SCHEMBL6788074 0.90 DRD2 (0.38) DRD2DRD3CYP11B1CYP11B2PDE4D
SCHEMBL6787745 0.89 DRD2 (0.37) DRD2BRD4
SCHEMBL6793501 0.89 DRD2 (0.39) DRD2DRD3CYP11B1CYP11B2BRD4
SCHEMBL6792526 0.89 DRD2 (0.39) DRD2DRD3CYP11B1CYP11B2BRD4
SCHEMBL6793140 0.88 DRD2 (0.38) DRD2CYP11B1CYP11B2BRD4
SCHEMBL6791820 0.88 DRD2 (0.41) DRD2DRD3CYP11B1CYP11B2BRD4

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 DRD2 4396/4885FAAH 3141/4885DRD3 4635/4885

“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.