SCHEMBL6922780

SCHEMBL6922780

CC(C)(C)C(OC(N)=O)c1cccc([Si](C)(C)CN2CCNCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.35
SLC6A4 P31645 5/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 6/20 0.33
SLC6A3 Q01959 4/20 0.32
CSNK1A1 P48729 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL6922783 0.79 ESRRG (0.37) ESRRGKDM4EALDH1A1OPRD1
SCHEMBL15773064 0.71 HTR2C (0.45)
SCHEMBL6922776 0.71 ALDH1A1 (0.38) ESRRGKDM4EALDH1A1
SCHEMBL14590400 0.71 BRD4 (0.41) ESRRGSLC6A4KDM4EALDH1A1
SCHEMBL5341329 0.70 HSP90AA1 (0.39) ESRRGSLC6A4KDM4EALDH1A1SLC6A2
SCHEMBL434849 0.68 ESRRG (0.55) ESRRG
SCHEMBL28601844 0.65 LOXL2 (0.41) KDM4E
SCHEMBL5340820 0.65 ESRRG (0.38) ESRRG
SCHEMBL9542839 0.65 DRD2 (0.47)
SCHEMBL15962305 0.64 ADRB1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740712-B2 SILICON LINKERS BASED ON CARBAMYL PIPERAZINE MOIETY; USE IN SOLID PHASE SYNTHESIS OF COMPOUNDS OR LIBRARIES OF COMPOUNDS EMBRACING A PHENYL RING IN THEIR STRUCTURE BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 US disclosed
US-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-29 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 (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-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries DOT1L, DNMT3L, SMYD2 ESRRG 4148/4885SLC6A4 2338/4885KDM4E 146/4885

“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.