SCHEMBL2008775

SCHEMBL2008775

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
NOTUM Q6P988 2/20 0.36
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
ADRB2 P07550 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
IDO1 P14902 2/20 0.33
AOC3 Q16853 1/20 0.33
AGXT P21549 1/20 0.33

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
SCHEMBL2003777 0.82 TAAR1 (0.41) TAAR1LMNACYP2A6NOTUMSLC6A3
SCHEMBL8983871 0.78 LMNA (0.40) TAAR1LMNACYP2A6NOTUMSLC6A3
SCHEMBL30504685 0.78 LMNA (0.40) TAAR1LMNACYP2A6SLC6A3SLC6A4
SCHEMBL2006055 0.76 LOXL2 (0.42) TAAR1SLC6A3SLC6A4SLC6A2HTR2A
SCHEMBL4734052 0.76 LMNA (0.38) TAAR1LMNACYP2A6NOTUMSLC6A3
SCHEMBL2007179 0.75 MAPT (0.44) TAAR1CYP2A6NOTUMHTR2AMAOB
Hydrochloric Acid SCHEMBL16880772 0.73 MAPT (0.42) TAAR1CYP2A6NOTUMHTR2AMAOB
SCHEMBL2004094 0.73 CA1 (0.48) TAAR1SLC6A4MAOBKDM4EALDH1A1
SCHEMBL9633376 0.71 NR1H2 (0.39) LMNACYP2A6NOTUMKDM4EALDH1A1
SCHEMBL196503 0.71 LMNA (0.50) LMNACYP2A6NOTUMADRB2KDM4E

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 26 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
CN-103958531-A Fungicide N-[(trisubstitutedsilyl)methyl]-carboxamide derivatives BAYER IP GMBH 2014-07-30 CN 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
CN-103958531-A Fungicide N-[(trisubstitutedsilyl)methyl]-carboxamide derivatives BAYER IP GMBH 2014-07-30 CN 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 TAAR1 3044/4885LMNA 2450/4885CYP2A6 983/4885
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 TAAR1 2888/4885LMNA 3383/4885CYP2A6 330/4885

“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.