SCHEMBL20176054

SCHEMBL20176054

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL20176041 0.76 CYP2D6 (0.35) CYP2D6CYP3A4ATMDRD2DRD4
SCHEMBL10812563 0.74 CYP2D6 (0.37) CYP2D6CYP3A4ATMDRD2DRD4
SCHEMBL20176042 0.74 CYP2D6 (0.33) CYP2D6CYP3A4ATMDRD2DRD4
SCHEMBL20176043 0.72 CYP2D6 (0.37) CYP2D6CYP3A4ATMDRD2DRD4
SCHEMBL20176051 0.72 CYP2D6 (0.33) CYP2D6CYP3A4ATMDRD2DRD4
SCHEMBL20176070 0.71 SLC6A2 (0.37) CYP2D6CYP3A4ATM
SCHEMBL20176050 0.70 CYP2D6 (0.34) CYP2D6CYP3A4ATMDRD2DRD4
SCHEMBL20176044 0.70 ALDH1A1 (0.36) CYP2D6CYP3A4DRD2DRD4OPRM1
SCHEMBL20176052 0.69 KDM4E (0.31) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176045 0.69 KCNN4 (0.43) OPRM1RAB9A

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 CYP2D6 4035/4885CYP3A4 1648/4885ATM 532/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB CYP2D6 4035/4885CYP3A4 1648/4885ATM 532/4885

“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.