SCHEMBL20176041

SCHEMBL20176041

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KCNA3 P22001 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
SCHEMBL20176061 0.86 TSHR (0.34) RAB9AALDH1A1
SCHEMBL20176055 0.86 MEN1 (0.35) CYP2D6CYP3A4RAB9ANPSR1ALDH1A1
SCHEMBL20176066 0.86 CYP2D6 (0.34) CYP2D6CYP3A4NPSR1
SCHEMBL1269231 0.84 MAPK1 (0.39) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176058 0.84 CSNK2A1 (0.31)
SCHEMBL20176056 0.84 SQOR (0.32) ALDH1A1
SCHEMBL20176057 0.84 KDM4E (0.33) ALOX15KDM4E
SCHEMBL20176064 0.83 CYP2A6 (0.36) RAB9A
SCHEMBL20176053 0.80 KCNN4 (0.30)
SCHEMBL20176073 0.79 CCR1 (0.31)

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 4035/4885DRD2 2601/4885DRD4 2341/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB CYP2D6 4035/4885DRD2 2601/4885DRD4 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.