SCHEMBL2003777

SCHEMBL2003777

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
MAOB P27338 3/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 3/20 0.34
NOTUM Q6P988 2/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
SLC6A2 P23975 2/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 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
SCHEMBL3923573 0.89 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL2008775 0.82 TAAR1 (0.39) TAAR1MAOBLMNACYP2A6SLC6A3
SCHEMBL2007623 0.78 TAAR1 (0.41) TAAR1MAOBSLC6A3SLC6A4NR1H2
SCHEMBL2012877 0.77 MAPT (0.41) TAAR1CYP2A6NR1H2NR1H3HTR2A
SCHEMBL9633376 0.77 NR1H2 (0.39) CYP1A2LMNACYP2A6NOTUMNR1H2
SCHEMBL2005774 0.75 TAAR1 (0.48) TAAR1MAOBMEN1KMT2ASLC6A4
SCHEMBL9661228 0.75 NR1H2 (0.38) CYP1A2LMNACYP2A6NR1H2NR1H3
Methane SCHEMBL27264866 0.75 NR1H2 (0.38) CYP1A2LMNACYP2A6NR1H2NR1H3
SCHEMBL8983871 0.75 LMNA (0.40) TAAR1MEN1KMT2ALMNACYP2A6
SCHEMBL30504685 0.75 LMNA (0.40) TAAR1CYP1A2MEN1KMT2ALMNA

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 13 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-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
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 1248/4885MAOB 1932/4885CYP1A2 1533/4885
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 2888/4885MAOB 2682/4885CYP1A2 163/4885
US-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SI, SCLY, SGMS1 TAAR1 3283/4885MAOB 1874/4885CYP1A2 461/4885

“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.