SCHEMBL8048796

SCHEMBL8048796

C=C(/N=C/c1cccc(C#N)c1)O[Si](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
P4HB P07237 9/20 0.38
FBP1 P09467 3/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ENPP2 Q13822 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM4 Q14833 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL8048676 0.80 NPC1 (0.50) GAAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL7842958 0.79 CHRM5 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13929157 0.79 APP (0.38)
SCHEMBL4220935 0.79 CHRM5 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7839970 0.79 NPC1 (0.49) GAAMAPTKDM4ESMN1; SMN2MAOB
SCHEMBL8048770 0.78 CHRM5 (0.55) MAPTKDM4ESMN1; SMN2
SCHEMBL13928900 0.78 LMNA (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17257333 0.76 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17257330 0.76 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL279114 0.74 CCR5 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES DING QINGJIE 2008-08-07 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 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 (3 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS GRIN2D 2682/4885GRIN3B 3594/4885GRIN1 2676/4885
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES MKI67, MCL1, BAD GRIN2D 2326/4885GRIN3B 3504/4885GRIN1 2770/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 GRIN2D 2192/4885GRIN3B 3454/4885GRIN1 2786/4885

“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.