SCHEMBL4050874

SCHEMBL4050874

CC(O[Si](C)(C)C(C)(C)C)c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCD O00767 2/20 0.37
SCD5 Q86SK9 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
NOTUM Q6P988 1/20 0.36
GRM5 P41594 1/20 0.36
FAAH O00519 1/20 0.35
USP30 Q70CQ3 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 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
SCHEMBL4040715 0.81 MLLT1 (0.36) TP53GRM5MLLT1
SCHEMBL5119793 0.79 TP53 (0.43) TP53CYP3A4CYP2C9CYP2C19SCD
SCHEMBL4041984 0.78 SCD (0.43) TP53CYP3A4CYP2C9CYP2C19SCD
SCHEMBL4050876 0.74 CYP3A4 (0.38) TP53CYP3A4CYP2C9CYP2C19SCD
SCHEMBL23604131 0.74 CLK4 (0.44) TP53CYP3A4CYP2C9CYP2C19SCD
SCHEMBL1795060 0.70 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19SCDSCD5
SCHEMBL3287158 0.68 CA12 (0.41) CLK4
SCHEMBL8545984 0.68 CYP19A1 (0.38) CYP3A4CYP2C19
SCHEMBL5486417 0.68 NOTUM (0.56) TP53SCDSCD5NOTUMFAAH
SCHEMBL1795620 0.67 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19CLK4CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027128-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-02-25 EP claimed
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 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-20070259895-A1 MGluR5 modulators VI GRM5, GRIK5, GRM6 TP53 4883/4885CYP3A4 3249/4885CYP2C9 3629/4885

“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.