SCHEMBL20176049

SCHEMBL20176049

C[Si](C)(CCl)OC(C#N)(c1ccccc1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
CHRM3 P20309 3/20 0.35
CHRM2 P08172 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM1 P11229 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2C19 P33261 2/20 0.33
CCR1 P32246 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
POLB P06746 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 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
SCHEMBL20176062 0.72
SCHEMBL20176041 0.72 CYP2D6 (0.35) CHRM3CHRM2CYP2D6CHRM1CYP2C19
SCHEMBL20176042 0.70 CYP2D6 (0.33) CYP2D6CYP3A4OPRM1DRD3NPSR1
SCHEMBL20176051 0.69 CYP2D6 (0.33) CHRM3CYP2D6CYP3A4OPRM1DRD3
SCHEMBL20176043 0.69 CYP2D6 (0.37) CHRM3CHRM2CYP2D6CHRM1CYP2C19
SCHEMBL20176054 0.68 CYP2D6 (0.33) CYP2D6CYP3A4OPRM1DRD3NPSR1
SCHEMBL20176045 0.68 KCNN4 (0.43) MEN1CYP2C19CCR1OPRM1KMT2A
SCHEMBL20176050 0.67 CYP2D6 (0.34) CHRM3CYP2D6CYP3A4OPRM1DRD3
SCHEMBL20176044 0.67 ALDH1A1 (0.36) MEN1CHRM3CYP2D6CYP3A4OPRM1
SCHEMBL3407104 0.67 KEAP1 (0.42) MEN1CHRM3CHRM2CYP2D6CHRM1

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 MEN1 337/4885CHRM3 1243/4885CHRM2 1708/4885

“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.