SCHEMBL2886631

SCHEMBL2886631

ONCCc1ccc(F)cc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.46
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
FFAR1 O14842 3/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
NAAA Q02083 1/20 0.36
ASAH1 Q13510 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL2889244 0.85 FFAR4 (0.46) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2885997 0.81 FFAR4 (0.42) FFAR4CNR1CNR2TRPV6PPARD
SCHEMBL2889457 0.74 SLC6A2 (0.43) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2888198 0.71 FFAR4 (0.50) FFAR4FFAR1
SCHEMBL2888268 0.71 MAOA (0.45) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6700407 0.71 FFAR4 (0.50) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2888269 0.71 MAOA (0.45) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6697870 0.70 FFAR4 (0.47) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13009610 0.70 HTR1A (0.47) HTR1AHRH3CARM1
SCHEMBL2888037 0.70 FFAR4 (0.36) FFAR4CNR1CNR2FFAR1TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7067694-B2 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-25 US disclosed
EP-1368303-B1 HALOGEN-SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2004-12-15 EP disclosed
US-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
EP-1368303-A1 HALOGEN-SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070460-A1 HALOGEN-SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 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 (2 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-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, DDC, AADAT FFAR4 321/4885HTR1A 2645/4885SLC6A2 563/4885
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives FABP3, PPARD, FABP1 FFAR4 45/4885HTR1A 3781/4885SLC6A2 3076/4885

“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.