SCHEMBL4063399

SCHEMBL4063399

C=CCN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4070375 0.77 HRH3 (0.35) OPRD1MAPTHRH3LMNAADRA2A
SCHEMBL3970107 0.75 OPRD1 (0.41) OPRD1MAPTHRH3LMNAADRA2A
SCHEMBL290880 0.75
SCHEMBL327601 0.75 OPRD1 (0.41) OPRD1MAPTHRH3LMNAADRA2A
SCHEMBL6692977 0.75 OPRD1 (0.41) OPRD1MAPTHRH3LMNAADRA2A
SCHEMBL4063401 0.73 MAPT (0.33) OPRD1MAPTHRH3LMNAADRA2A
SCHEMBL15132381 0.72 OPRD1 (0.44) OPRD1TSHROPRK1
Bromide SCHEMBL7969410 0.72 OPRD1 (0.40) OPRD1MAPTHRH3LMNAADRA2A
SCHEMBL4068514 0.71 ALDH1A1 (0.35) OPRD1ALDH1A1
SCHEMBL4060605 0.71 HRH3 (0.35) OPRD1MAPTHRH3LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569691-B2 Protected piperazino group-bearing organoxysilane compound and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-04 US claimed
US-7569691-B2 Protected piperazino group-bearing organoxysilane compound and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-04 US disclosed
EP-1714968-B1 Protected piperazino group-bearing organoxysilane compound and making method SHINETSU CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-20060241294-A1 Protected piperazino group-bearing organoxysilane compound and making method SHIN-ETSU CHEMICAL CO., LTD. 2006-10-26 US disclosed
EP-1714968-A1 Protected piperazino group-bearing organoxysilane compound and making method Shin-Etsu Chemical Co., Ltd. (JP) 2006-10-25 EP 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-20060241294-A1 Protected piperazino group-bearing organoxysilane compound and making method PIEZO1, VCL, VIM OPRD1 2283/4885TSHR 4308/4885MAPT 91/4885

“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.