SCHEMBL2006055

SCHEMBL2006055

C[Si](C)(CN)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 1/20 0.36
SLC6A3 Q01959 3/20 0.35
MAOB P27338 2/20 0.34
IDO1 P14902 4/20 0.33
AGXT P21549 2/20 0.33
TDO2 P48775 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AOC3 Q16853 1/20 0.33
SLC6A2 P23975 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2B P41595 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MAOA P21397 1/20 0.32
NOS3 P29474 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
SCHEMBL2007623 0.82 TAAR1 (0.41) LOXL2TAAR1ACHESLC6A3MAOB
SCHEMBL27352036 0.78 ACHE (0.38) LOXL2TAAR1ACHEIDO1NPC1
SCHEMBL2008775 0.76 TAAR1 (0.39) TAAR1SLC6A3MAOBIDO1AGXT
SCHEMBL7863483 0.76 ACHE (0.36) LOXL2TAAR1ACHEIDO1NPC1
SCHEMBL2007179 0.75 MAPT (0.44) LOXL2TAAR1MAOBHTR2ANR1H2
SCHEMBL14977393 0.74 TAAR1 (0.42) TAAR1ACHEMAOBIDO1AGXT
SCHEMBL27474368 0.73 MAPT (0.42) LOXL2TAAR1MAOBHTR2ANR1H2
Fluoride SCHEMBL27920006 0.73 MAPT (0.42) LOXL2TAAR1MAOBHTR2ANR1H2
Hydrochloric Acid SCHEMBL16880772 0.73 MAPT (0.42) LOXL2TAAR1MAOBHTR2ANR1H2
SCHEMBL2004094 0.73 CA1 (0.48) TAAR1ACHEMAOBIDO1AGXT

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 LOXL2 3794/4885TAAR1 3044/4885ACHE 1669/4885
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 LOXL2 169/4885TAAR1 2888/4885ACHE 92/4885

“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.