SCHEMBL4136544

SCHEMBL4136544

CC(C)(C)[Si](OCc1cccc(C2CC2)n1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
KCNH2 Q12809 3/20 0.34
SMYD2 Q9NRG4 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 2/20 0.33
SLC6A4 P31645 2/20 0.33
ADORA2A P29274 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 0.32
CNR2 P34972 3/20 0.32
PDE10A Q9Y233 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 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
SCHEMBL20416720 0.80 ADORA2A (0.37) KCNH2TACR1SLC6A4ADORA2AGABRA1
SCHEMBL9008955 0.79 TRPV3 (0.43) KCNH2CYP3A4HTTSMN1; SMN2CNR2
SCHEMBL9174404 0.79 SMN1; SMN2 (0.42) KCNH2SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL4134240 0.77 KCNH2 (0.38) GRM5GRM1KCNH2SMYD2CYP3A4
SCHEMBL8777276 0.77 KCNH2 (0.41) GRM5GRM1KCNH2SMYD2CYP3A4
SCHEMBL5486455 0.76 MEN1 (0.41) GRM5GRM1SMYD2CYP3A4HTT
SCHEMBL22242041 0.75 ADORA2A (0.40) KCNH2ADORA2AGABRA1GABRG2GABRB3
SCHEMBL20972733 0.74 GRM5 (0.35) GRM5GRM1SMYD2CYP3A4HTT
SCHEMBL20972734 0.74 GRM5 (0.35) GRM5GRM1SMYD2CYP3A4HTT
SCHEMBL22262251 0.74 GRM5 (0.35) GRM5GRM1SMYD2CYP3A4HTT

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 GRM5 66/4885GRM1 11/4885KCNH2 861/4885

“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.