SCHEMBL4564232

SCHEMBL4564232

CC1(C)c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N[C@@H]2c3cc(OC(F)(F)F)ccc3OC[C@H]21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
KIF11 P52732 1/20 0.36
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
TRPV1 Q8NER1 5/20 0.32
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ABL1 P00519 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
TACR1 P25103 1/20 0.31
CCR6 P51684 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4566002 1.00 HCRTR2 (0.38) HCRTR2KIF11BCL2L1MCL1TRPV1
SCHEMBL4565731 0.92 HTR2B (0.37) HCRTR2HTR7HTR2BTMEM97SIGMAR1
SCHEMBL4569571 0.89 MLYCD (0.36) HTR7HTR2BTMEM97SIGMAR1BACE1
SCHEMBL4628429 0.86 HCRTR2 (0.32) HCRTR2
SCHEMBL4564402 0.86 HCRTR2 (0.32) HCRTR2
SCHEMBL4569975 0.86 HCRTR2 (0.32) HCRTR2
SCHEMBL4563276 0.86
SCHEMBL4564365 0.85 NR1H3 (0.34) KIF11TRPV1NR1H2NR1H3
SCHEMBL4564092 0.84 HCRTR2 (0.34) HCRTR2KIF11
SCHEMBL14034594 0.82 HTR2B (0.36) HCRTR2HTR7HTR2BTMEM97SIGMAR1

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
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 HCRTR2 3099/4885KIF11 4094/4885BCL2L1 1884/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HCRTR2 3099/4885KIF11 4094/4885BCL2L1 1884/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HCRTR2 3099/4885KIF11 4094/4885BCL2L1 1884/4885

“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.