SCHEMBL20176048

SCHEMBL20176048

CCN(CC)C(=O)C(C#N)(O[Si](C)(C)CCl)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 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
SCHEMBL20176047 0.89 OPRM1 (0.39) LMNACHRM2CHRM1ALDH1A1MAPT
SCHEMBL20176045 0.82 KCNN4 (0.43) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL20176046 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20176042 0.72 CYP2D6 (0.33) LMNARAB9ACYP2D6DRD2DRD4
SCHEMBL20176041 0.71 CYP2D6 (0.35) CHRM2CHRM1CHRM3ALDH1A1RAB9A
SCHEMBL20176043 0.68 CYP2D6 (0.37) CHRM2CHRM1CHRM3RAB9ACYP2D6
SCHEMBL20176051 0.68 CYP2D6 (0.33) CHRM3RAB9ACYP2D6DRD2DRD4
SCHEMBL20176052 0.68 KDM4E (0.31) ALDH1A1KDM4ECYP2D6DRD2DRD4
SCHEMBL20176054 0.67 CYP2D6 (0.33) RAB9ACYP2D6DRD2DRD4OPRM1
SCHEMBL20176044 0.66 ALDH1A1 (0.36) CHRM3ALDH1A1MAPTRAB9AMEN1

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 LMNA 145/4885CHRM2 1708/4885CHRM1 823/4885

“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.