SCHEMBL20176072

SCHEMBL20176072

CC(C#N)(CCc1ccccc1)O[Si](C)(C)CBr

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
EBP Q15125 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
NAAA Q02083 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
AR P10275 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL20176083 0.87 DRD2 (0.35) DRD2DRD4OPRM1DRD3EBP
SCHEMBL20176092 0.86 DRD2 (0.35) DRD2DRD4OPRM1DRD3EBP
SCHEMBL6724280 0.85 DRD2 (0.38) DRD2DRD4OPRM1DRD3EBP
SCHEMBL20176087 0.83 DRD2 (0.33) DRD2DRD4OPRM1DRD3EBP
SCHEMBL20176091 0.82 CTSS (0.33) DRD2DRD4OPRM1DRD3EBP
SCHEMBL20176093 0.82 EBP (0.33) DRD2DRD4OPRM1DRD3EBP
SCHEMBL20176074 0.81 DRD2 (0.32) DRD2DRD4OPRM1DRD3EBP
SCHEMBL20176089 0.80 TRPV1 (0.33) DRD2DRD4OPRM1DRD3CTSS
SCHEMBL20176084 0.80 DRD2 (0.35) DRD2DRD4OPRM1DRD3EBP
SCHEMBL20176086 0.80 DRD2 (0.35) DRD2DRD4OPRM1DRD3EBP

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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF NCLN, PNN, MB DRD2 2601/4885DRD4 2341/4885OPRM1 1704/4885

“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.