SCHEMBL2997165

SCHEMBL2997165

CCOC(=O)CCCCN(CCc1ccccc1O)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
DRD2 P14416 1/20 0.41
EPHX2 P34913 1/20 0.41
HTR1A P08908 1/20 0.40
PDE6D O43924 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2992339 0.92 PDE6D (0.43) CYP4F2CYP4A11EPHX2PDE6DALOX5
SCHEMBL2985237 0.92 ALDH1A1 (0.42) CYP4F2CYP4A11HTR1APDE6DALDH1A1
SCHEMBL2996686 0.90 MEP1B (0.45) CYP4F2CYP4A11DRD2HTR1AALOX5
SCHEMBL2982853 0.89 ACHE (0.47) CYP4F2CYP4A11ALDH1A1KMT2AMAPT
SCHEMBL2989766 0.85 CYP4F2 (0.41) CYP4F2CYP4A11DRD2HTR1AALOX5
SCHEMBL2986841 0.85 BCHE (0.44) CYP4F2CYP4A11PDE6DBCHEACHE
SCHEMBL13009803 0.85 BCHE (0.42) CYP4F2CYP4A11DRD2EPHX2PDE6D
SCHEMBL13009700 0.85 BCHE (0.45) DRD2PDE6DBCHEACHELPAR1
SCHEMBL13009695 0.85 BCHE (0.45) DRD2PDE6DBCHEACHELPAR1
SCHEMBL13009892 0.85 BCHE (0.45) DRD2PDE6DBCHEACHELPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-6939989-B2 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
EP-1216225-B1 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-07-06 EP disclosed
US-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 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 (4 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS CYP4F2 441/4885CYP4A11 333/4885DRD2 2331/4885
US-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, BCAT1, AADAT CYP4F2 109/4885CYP4A11 1195/4885DRD2 2112/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS CYP4F2 441/4885CYP4A11 333/4885DRD2 2331/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS CYP4F2 441/4885CYP4A11 333/4885DRD2 2331/4885

“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.