SCHEMBL5134060

SCHEMBL5134060

CC(C)(C)OC(=O)N1CCC[C@]12CCN(CC(=O)O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
NPC1L1 Q9UHC9 8/20 0.37
CDK4 P11802 1/20 0.35
CTSK P43235 1/20 0.33
JAK3 P52333 2/20 0.32
DDR1 Q08345 1/20 0.32
BDKRB2 P30411 3/20 0.32
USP30 Q70CQ3 1/20 0.31
CCR5 P51681 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
SCHEMBL14282652 0.96 GRIN2B (0.50) GRIN2BGRIN2CNPC1L1CDK4CTSK
SCHEMBL15937072 0.90 GRIN2B (0.55) GRIN2BGRIN2CNPC1L1CDK4CTSK
SCHEMBL24339456 0.89 GRIN2B (0.54) GRIN2BGRIN2CNPC1L1CDK4CTSK
SCHEMBL5134369 0.88 GRIN2B (0.47) GRIN2BGRIN2CNPC1L1CDK4CTSK
SCHEMBL25852386 0.87 GRIN2B (0.51) GRIN2BGRIN2CNPC1L1CDK4CTSK
SCHEMBL14282651 0.84 GRIN2B (0.48) GRIN2BGRIN2CNPC1L1CDK4CTSK
SCHEMBL15937192 0.81 BDKRB2 (0.38) BDKRB2
SCHEMBL24112192 0.80 GRIN2B (0.57) GRIN2BGRIN2CCDK4CTSKJAK3
SCHEMBL1948718 0.79 KMT2A (0.52) GRIN2BGRIN2CNPC1L1
SCHEMBL15937196 0.78 GRIN2B (0.53) GRIN2BGRIN2CNPC1L1CDK4CTSK

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-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 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-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 GRIN2B 2563/4885GRIN2C 3043/4885NPC1L1 4110/4885

“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.