SCHEMBL4556347

SCHEMBL4556347

CC1(C)c2cc(C(N)=O)ccc2NC2c3cc(Br)ccc3OCC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HCRTR2 O43614 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
USP2 O75604 1/20 0.37
F2 P00734 1/20 0.37
NR3C2 P08235 4/20 0.36
GPER1 Q99527 2/20 0.35
GPR183 P32249 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
NR3C1 P04150 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
NQO2 P16083 1/20 0.33
HSP90AA1 P07900 1/20 0.33
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32

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
SCHEMBL4555985 0.82 LTB4R (0.35) HCRTR2L3MBTL1USP2F2NQO2
SCHEMBL4437576 0.80 MAPT (0.33) USP2MAPTNQO2F10F11
SCHEMBL4564402 0.78 HCRTR2 (0.32) HCRTR2HSP90AA1
SCHEMBL4569975 0.78 HCRTR2 (0.32) HCRTR2HSP90AA1
SCHEMBL4628429 0.78 HCRTR2 (0.32) HCRTR2HSP90AA1
SCHEMBL4555635 0.78 F10 (0.34) HTR1AHTR1DHTR2CTSHRF10
SCHEMBL4556213 0.77 GAA (0.34) HTR1AHTR1DHTR2CTSHRF10
SCHEMBL4564025 0.76 TSHR (0.38) HCRTR2TSHRMAPTHSP90AA1
SCHEMBL4554178 0.76 IRAK4 (0.35) USP2F2NPC1RAB9ATSHR
SCHEMBL4611328 0.76 F10 (0.36) USP2TSHRMAPTF10F11

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-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-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
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

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 HTR1A 2598/4885HTR1D 3818/4885HTR2C 3634/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HTR1A 2598/4885HTR1D 3818/4885HTR2C 3634/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HTR1A 2598/4885HTR1D 3818/4885HTR2C 3634/4885

“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.