SCHEMBL8510456

SCHEMBL8510456

CC(C)(C)OC(=O)N1CC(Oc2ccc(F)c(F)c2)C2NCC=C21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
S1PR3 Q99500 1/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
MMP13 P45452 2/20 0.33
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33
SCN9A Q15858 1/20 0.33
USP30 Q70CQ3 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP1 P03956 2/20 0.32
MMP9 P14780 2/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
DPP4 P27487 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2724153 0.83 USP30 (0.43) GPR119USP30
SCHEMBL8514735 0.76 BACE1 (0.41) GPR119
SCHEMBL22266021 0.76 GPR119 (0.55) GPR119GRIN1GRIN2BS1PR3ADAMTS5
SCHEMBL31312460 0.76 GPR119 (0.55) GPR119GRIN1GRIN2BS1PR3ADAMTS5
SCHEMBL8510451 0.75 GPR119 (0.40) GPR119GRIN1GRIN2BNR1H2NR1H3
SCHEMBL9611316 0.75 GPR119 (0.40) GPR119GRIN1GRIN2BNR1H2NR1H3
SCHEMBL5941747 0.74 CHRM2 (0.35) GPR119NR1H2ALDH1A1MMP1MMP9
SCHEMBL4050280 0.74 CHRM2 (0.35) GPR119NR1H2ALDH1A1MMP1MMP9
SCHEMBL2732998 0.73 DPP9 (0.38) GPR119NR1H2NR1H3S1PR3ADAMTS5
SCHEMBL31312448 0.72 GPR119 (0.52) GPR119GRIN1GRIN2BS1PR3ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 GPR119 163/4885GRIN1 4628/4885GRIN2B 4622/4885

“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.