SCHEMBL2889244

SCHEMBL2889244

NCCc1ccc(F)cc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.46
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
HTR1D P28221 2/20 0.42
HTR1A P08908 2/20 0.42
MAOB P27338 3/20 0.40
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR2A P28223 2/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL2886631 0.85 FFAR4 (0.46) FFAR4SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13009610 0.85 HTR1A (0.47) HTR1DHTR1AHRH3
SCHEMBL6697870 0.84 FFAR4 (0.47) FFAR4SLC6A2SLC6A4SLC6A3HTR1D
SCHEMBL4651759 0.80 FFAR4 (0.56) FFAR4SLC6A4HTR1DMAOBHRH3
SCHEMBL2889457 0.77 SLC6A2 (0.43) FFAR4SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6701885 0.73 FFAR4 (0.46) FFAR4SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6700407 0.73 FFAR4 (0.50) FFAR4SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6699132 0.72 FFAR4 (0.44) FFAR4SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2888269 0.71 MAOA (0.45) FFAR4SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2888268 0.71 MAOA (0.45) FFAR4SLC6A2SLC6A4SLC6A3HTR1A

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-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

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 321/4885SLC6A2 563/4885SLC6A4 776/4885
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives FABP3, PPARD, FABP1 FFAR4 45/4885SLC6A2 3076/4885SLC6A4 3502/4885

“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.