SCHEMBL4556010

SCHEMBL4556010

CCS(=O)(=O)N1CCN(C(=O)c2coc(-c3ccc4c(c3)C(C)(C)[C@H]3COc5cccc(OC)c5[C@H]3N4)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SCN9A Q15858 4/20 0.34
PDE4B Q07343 2/20 0.33
TACR3 P29371 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 1/20 0.32
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ENPP1 P22413 1/20 0.31
APLNR P35414 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
SCHEMBL4554638 0.91 SCN9A (0.35) SCN9APDE4BTSHRLMNAPOLB
SCHEMBL4565791 0.85 ALDH1A1 (0.41) ALDH1A1HIF1ATSHRLMNAPOLB
SCHEMBL4761650 0.85 APLNR (0.39) PDE4BALDH1A1APLNR
SCHEMBL4813071 0.75 HDAC1 (0.33) PDE4B
SCHEMBL4597471 0.74 ACACB (0.39) TLR9TLR8TLR7SMN1; SMN2TSHR
SCHEMBL4556184 0.74 ALDH1A1 (0.41) ALDH1A1HIF1ATSHRLMNAPOLB
SCHEMBL4437480 0.74 ALDH1A1 (0.41) ALDH1A1HIF1ATSHRLMNAPOLB
SCHEMBL4437149 0.74 HDAC1 (0.34) TLR9TLR8TLR7PDE4BALDH1A1
SCHEMBL4566784 0.74 RARA (0.43) PDE4BHIF1ALMNA
SCHEMBL4896422 0.73 MAPT (0.41) PDE4BALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TLR9 4365/4885TLR8 3833/4885TLR7 4051/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP TLR9 4365/4885TLR8 3833/4885TLR7 4051/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TLR9 4365/4885TLR8 3833/4885TLR7 4051/4885

“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.