SCHEMBL20176047

SCHEMBL20176047

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.39
DRD3 P35462 8/20 0.39
DRD4 P21917 6/20 0.39
DRD2 P14416 7/20 0.35
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
RIPK1 Q13546 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
SLC6A4 P31645 2/20 0.30
OPRD1 P41143 2/20 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
SCHEMBL20176048 0.89 LMNA (0.33) OPRM1DRD3DRD4DRD2CYP2D6
SCHEMBL20176045 0.83 KCNN4 (0.43) OPRM1ALDH1A1MAPTNR1H2NR1H3
SCHEMBL20176046 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASLC6A3SLC6A2
SCHEMBL20176041 0.72 CYP2D6 (0.35) OPRM1DRD3DRD4DRD2CYP2D6
SCHEMBL20176042 0.70 CYP2D6 (0.33) OPRM1DRD3DRD4DRD2CYP2D6
SCHEMBL20176043 0.69 CYP2D6 (0.37) OPRM1DRD3DRD4DRD2CYP2D6
SCHEMBL20176051 0.69 CYP2D6 (0.33) OPRM1DRD3DRD4DRD2CYP2D6
SCHEMBL20176052 0.68 KDM4E (0.31) OPRM1DRD3DRD4DRD2CYP2D6
SCHEMBL10817853 0.68 OPRM1 (0.38) OPRM1DRD3DRD4DRD2CYP2D6
SCHEMBL9268675 0.68 OPRM1 (0.47) OPRM1DRD3DRD4DRD2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof EAST CHINA NORMAL UNIVERSITY (CN) 2019-10-22 US disclosed
US-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 US disclosed
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 (2 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 OPRM1 1704/4885DRD3 2567/4885DRD4 2341/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB OPRM1 1704/4885DRD3 2567/4885DRD4 2341/4885

“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.