SCHEMBL2007623

SCHEMBL2007623

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MAOB P27338 2/20 0.36
SLC6A3 Q01959 2/20 0.33
ACHE P22303 1/20 0.33
SLC2A1 P11166 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.32
AOC3 Q16853 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AGXT P21549 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 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
SCHEMBL3923573 0.89 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL2006055 0.82 LOXL2 (0.42) TAAR1LOXL2NR1H2NR1H3MAOB
SCHEMBL2003777 0.78 TAAR1 (0.41) TAAR1NR1H2NR1H3MAOBSLC6A3
SCHEMBL2012877 0.77 MAPT (0.41) TAAR1LOXL2NR1H2NR1H3HTR2A
SCHEMBL2005774 0.75 TAAR1 (0.48) TAAR1MAOBACHEIDO1AGXT
SCHEMBL9656709 0.75 NR1H2 (0.41) NR1H2NR1H3ACHESLC2A1
SCHEMBL486510 0.75 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL27352036 0.75 ACHE (0.38) TAAR1LOXL2NR1H2NR1H3ACHE
SCHEMBL3919950 0.73 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL7863483 0.73 ACHE (0.36) TAAR1LOXL2NR1H2NR1H3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SILAMED, INC. (US) 2009-12-10 US disclosed
US-20090054369-A1 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
EP-1968609-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND Pharmaceuticals, Inc. (US) 2008-09-17 EP disclosed
EP-1919929-A4 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS INC (US) 2008-08-06 EP 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 (3 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-20090054369-A1 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS SI, SLC29A2, SLC29A1 TAAR1 1248/4885LOXL2 2336/4885NR1H2 970/4885
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 2888/4885LOXL2 169/4885NR1H2 199/4885
US-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SI, SCLY, SGMS1 TAAR1 3283/4885LOXL2 512/4885NR1H2 494/4885

“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.