SCHEMBL2012876

SCHEMBL2012876

CC(N)[Si](C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL16178123 1.00 SLC6A2 (0.39) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL5068915 0.80 NR1H2 (0.52) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL23557563 0.79 ESR1 (0.41) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL17886084 0.79 ESR1 (0.41) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL14977000 0.77 CSNK1E (0.33) KDM4EALDH1A1
SCHEMBL2003776 0.76 ADRB2 (0.48) SLC6A2SLC6A4SLC6A3CYP2A6LMNA
SCHEMBL2007621 0.76 NR1H2 (0.40) MAOA
SCHEMBL7743398 0.75 MAOA (0.35) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL28591973 0.75 TAAR1 (0.40) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL19309372 0.73 ESR1 (0.41) TAAR1ADRA2AADRA2CESR1ESR2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782920-B1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-12-21 EP claimed
US-20140315858-A1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 US claimed
EP-2782920-A1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-10-01 EP claimed
WO-2013075817-A1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 WO claimed
US-7964738-B2 Pharmaceutical compositions and methods of use of lipophilic, silicon-substituted, cyclooxygenase-2 selective non-steroidal anti-inflammatory drugs and derivatives SILAMED, INC. (US) 2011-06-21 US claimed
US-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND PHARMACEUTICALS, INC. (US) 2007-06-07 US claimed
EP-1737471-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND Pharmaceuticals (US) 2007-01-03 EP claimed
WO-2005102358-A2 SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS RND PHARMACEUTICALS (US) 2005-11-03 WO claimed
US-9617286-B2 Fungicide N-[(trisubstitutedsilyl)methyl]-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-04-11 US disclosed
EP-2782920-B1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-12-21 EP disclosed
US-20140315858-A1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 US disclosed
EP-2782920-A1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-10-01 EP disclosed
WO-2013075817-A1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 WO disclosed
US-7964738-B2 Pharmaceutical compositions and methods of use of lipophilic, silicon-substituted, cyclooxygenase-2 selective non-steroidal anti-inflammatory drugs and derivatives SILAMED, INC. (US) 2011-06-21 US disclosed
EP-1919929-A2 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007073560-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND PHARMACEUTICALS, INC. (US) 2007-06-28 WO disclosed
US-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND PHARMACEUTICALS, INC. (US) 2007-06-07 US disclosed
WO-2007019221-A2 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
EP-1737471-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND Pharmaceuticals (US) 2007-01-03 EP disclosed
WO-2005102358-A2 SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS RND PHARMACEUTICALS (US) 2005-11-03 WO 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-20140315858-A1 FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES TET3, TET1, PFAS SLC6A2 3457/4885TAAR1 3044/4885MAOA 1898/4885
US-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES PTGES2, PTGS2, SI SLC6A2 426/4885TAAR1 2888/4885MAOA 2905/4885

“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.