SCHEMBL16266010

SCHEMBL16266010

COC(=O)C(C)CN1CCN([Si](C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
PIK3CD O00329 1/20 0.36
CYP2D6 P10635 2/20 0.36
PADI1 Q9ULC6 1/20 0.35
PADI4 Q9UM07 1/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.32
DRD3 P35462 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2B P18089 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.31
TP53 P04637 1/20 0.31
MC4R P32245 1/20 0.31
TSHR P16473 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
SCHEMBL16265562 0.90 ALDH1A1 (0.35) ALDH1A1PIK3CDCYP2D6PADI1PADI4
SCHEMBL16265608 0.85 CYP3A4 (0.43) ALDH1A1PIK3CDCYP2D6LMNANPSR1
SCHEMBL16265832 0.85 ALDH1A1 (0.36) ALDH1A1PIK3CDCYP2D6PADI1PADI4
SCHEMBL16265734 0.84 ALDH1A1 (0.36) ALDH1A1PIK3CDCYP2D6PADI1PADI4
SCHEMBL18167012 0.84 POLB (0.43) ALDH1A1PIK3CDCYP2D6POLBSMN1; SMN2
SCHEMBL16265733 0.84 ALDH1A1 (0.35) ALDH1A1PIK3CDCYP2D6PADI1PADI4
SCHEMBL16265872 0.83 PIK3CD (0.37) ALDH1A1PIK3CDCYP2D6PADI1PADI4
SCHEMBL16265788 0.82 ALDH1A1 (0.35) ALDH1A1PIK3CDCYP2D6PADI1PADI4
SCHEMBL16265669 0.81 CYP2D6 (0.35) ALDH1A1PIK3CDCYP2D6PADI1PADI4
SCHEMBL16265541 0.81 ALDH1A1 (0.33) ALDH1A1CYP2D6PADI1PADI4LMNA

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
EP-2808329-B1 Silyl-Protected Nitrogen-Containing Cyclic Compounds and their method of preparation SHINETSU CHEMICAL CO (JP) 2018-09-26 EP disclosed
US-9233988-B2 Silyl-protected nitrogen-containing cyclic compounds and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-12 US disclosed
CN-104211725-A Silyl-protected nitrogen-containing cyclic compounds and making method SHINETSU CHEMICAL CO 2014-12-17 CN disclosed
US-20140357862-A1 SILYL-PROTECTED NITROGEN-CONTAINING CYCLIC COMPOUNDS AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-04 US disclosed
EP-2808329-A1 Silyl-Protected Nitrogen-Containing Cyclic Compounds and Making Method Shin-Etsu Chemical Co., Ltd. (JP) 2014-12-03 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-20140357862-A1 SILYL-PROTECTED NITROGEN-CONTAINING CYCLIC COMPOUNDS AND MAKING METHOD PRMT9, CCNO, IPO9 ALDH1A1 3666/4885PIK3CD 2796/4885CYP2D6 4195/4885

“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.