SCHEMBL4565731

SCHEMBL4565731

COc1ccc2c(c1)C1Nc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3C(C)(C)C1CO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ABCB1 P08183 2/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.34
HSP90AA1 P07900 3/20 0.33
MTNR1A P48039 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
RORC P51449 2/20 0.32
MLYCD O95822 1/20 0.32
RORA P35398 1/20 0.32
NR1H2 P55055 1/20 0.32
HTT P42858 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
SCHEMBL4569571 0.93 MLYCD (0.36) HTR2BSIGMAR1HTR7TMEM97ABCB1
SCHEMBL4564232 0.92 HCRTR2 (0.38) HTR2BSIGMAR1HTR7TMEM97HCRTR2
SCHEMBL4566002 0.92 HCRTR2 (0.38) HTR2BSIGMAR1HTR7TMEM97HCRTR2
SCHEMBL14034594 0.90 HTR2B (0.36) HTR2BSIGMAR1HTR7TMEM97ABCB1
SCHEMBL4564402 0.87 HCRTR2 (0.32) HSP90AA1HCRTR2
SCHEMBL4628429 0.87 HCRTR2 (0.32) HSP90AA1HCRTR2
SCHEMBL4569975 0.87 HCRTR2 (0.32) HSP90AA1HCRTR2
SCHEMBL4564365 0.85 NR1H3 (0.34) L3MBTL1HSP90AA1RORCRORANR1H2
SCHEMBL4564092 0.84 HCRTR2 (0.34) MAPTL3MBTL1HCRTR2RORC
SCHEMBL4629113 0.83 MLYCD (0.35) RORCMLYCDNR1H2

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
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO 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-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-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 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
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US 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
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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
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 HTR2B 3502/4885SIGMAR1 3574/4885HTR7 2733/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HTR2B 3502/4885SIGMAR1 3574/4885HTR7 2733/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HTR2B 3502/4885SIGMAR1 3574/4885HTR7 2733/4885

“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.