SCHEMBL20176044

SCHEMBL20176044

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
CYP2D6 P10635 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM3 P20309 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP3A4 P08684 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
SCHEMBL20176042 0.84 CYP2D6 (0.33) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176051 0.77 CYP2D6 (0.33) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176050 0.75 CYP2D6 (0.34) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176041 0.75 CYP2D6 (0.35) ALDH1A1CYP2D6DRD2DRD4OPRM1
SCHEMBL20176043 0.74 CYP2D6 (0.37) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176052 0.71 KDM4E (0.31) ALDH1A1CYP2D6DRD2DRD4OPRM1
SCHEMBL20176054 0.70 CYP2D6 (0.33) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176045 0.68 KCNN4 (0.43) ALDH1A1MAPTOPRM1MEN1KMT2A
SCHEMBL20176070 0.67 SLC6A2 (0.37) ALDH1A1CYP2D6CYP3A4
SCHEMBL20176047 0.67 OPRM1 (0.39) ALDH1A1TSHRHTTMAPTCYP2D6

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 ALDH1A1 3188/4885TSHR 3568/4885HTT 2318/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB ALDH1A1 3188/4885TSHR 3568/4885HTT 2318/4885

“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.