SCHEMBL2889457

SCHEMBL2889457

O=Cc1ccc(F)cc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR1A P08908 2/20 0.43
FFAR4 Q5NUL3 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 2/20 0.39
DHODH Q02127 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MCHR1 Q99705 2/20 0.37
FFAR1 O14842 2/20 0.37
NAAA Q02083 1/20 0.37
ASAH1 Q13510 1/20 0.37

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
SCHEMBL3606150 0.85 KMT2A (0.52) HRH3PTGDR2KMT2ATDP1L3MBTL1
SCHEMBL2888268 0.83 MAOA (0.45) SLC6A2SLC6A4SLC6A3HTR1AFFAR4
SCHEMBL2888269 0.83 MAOA (0.45) SLC6A2SLC6A4SLC6A3HTR1AFFAR4
SCHEMBL4050777 0.78 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3HTR1AFFAR4
SCHEMBL2392721 0.77 CCNB2 (0.53) KMT2ATDP1L3MBTL1PTPN1MAOA
SCHEMBL2889244 0.77 FFAR4 (0.46) SLC6A2SLC6A4SLC6A3HTR1AFFAR4
SCHEMBL2886631 0.74 FFAR4 (0.46) SLC6A2SLC6A4SLC6A3HTR1AFFAR4
SCHEMBL26154119 0.73 MAOB (0.56) FFAR4HRH3MAOB
SCHEMBL4050782 0.72 ALDH1A1 (0.56) KMT2A
SCHEMBL5631333 0.71 MAOA (0.51) FFAR4KMT2ATDP1L3MBTL1PTPN1

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 9 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-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
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 SLC6A2 563/4885SLC6A4 776/4885SLC6A3 377/4885
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives FABP3, PPARD, FABP1 SLC6A2 3076/4885SLC6A4 3502/4885SLC6A3 2856/4885

“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.