SCHEMBL6079062

SCHEMBL6079062

CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc3c(n2)NC(=O)CS3)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
NAMPT P43490 8/20 0.37
EGLN2 Q96KS0 1/20 0.36
ADAM17 P78536 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CYP2C9 P11712 1/20 0.35
PIK3R1 P27986 3/20 0.34
PIK3CA P42336 3/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL6079924 0.80 CNR2 (0.39) CNR2
SCHEMBL16212966 0.73 KDM4E (0.45) NAMPTDDB1CRBNJAK2JAK1
SCHEMBL3272794 0.72 LIMK2 (0.40) CNR2JAK2JAK1
SCHEMBL1003155 0.68 USP2 (0.44) ADAM17PIK3R1PIK3CA
SCHEMBL5521745 0.67 PDE3B (0.35) CNR2
SCHEMBL607180 0.66 MEN1 (0.46)
SCHEMBL17149550 0.65 NPFFR1 (0.50) JAK2JAK1
SCHEMBL3247575 0.65 POLB (0.42) DDB1CRBN
SCHEMBL21406619 0.64 FPR2 (0.52) ADAM17JAK2JAK1
SCHEMBL5749110 0.64 HTT (0.40)

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-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG CNR2 4489/4885NAMPT 202/4885EGLN2 2275/4885

“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.