SCHEMBL4589048

SCHEMBL4589048

CCOCC(=O)NCC([NH])=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
NAMPT P43490 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 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
SCHEMBL47293 0.78
SCHEMBL4588095 0.78 SPR (0.40) HPGDHSD17B10ALDH1A1KDM4ETSHR
SCHEMBL8814063 0.78
SCHEMBL17665045 0.78 KMT2A (0.39) HPGDHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL21549645 0.76 HPGD (0.38) HPGDHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL7830346 0.75
SCHEMBL733163 0.74
SCHEMBL4692525 0.74 MCL1 (0.47) HPGDHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL7294998 0.73 GAA (0.54) HPGDHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL23677003 0.72 ALDH1A1 (0.47) HPGDHSD17B10ALDH1A1KMT2AMEN1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872381-B1 Radiopharmaceuticals for diagnosing Alzheimer's disease SCHERING AG (DE) 2005-03-29 US claimed
US-6676926-B2 FOR ADMINISTERING TO A HUMAN IN NEED OF SUCH DIAGNOSIS AND MEASURING THE RADIOACTIVITY ARISING FROM THE ADMINISTRATION OF THE COMPOUND TO THE HUMAN EITHER BY USING A GAMMA CAMERA OR BY POSITRON EMISSION TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US claimed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP disclosed
EP-1332138-B1 RADIOPHARMACEUTICALS FOR DIAGNOSING ALZHEIMER'S DISEASE SCHERING AG (DE) 2005-12-28 EP disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6555537-B2 Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6534509-B1 Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease SCHERING AG (DE) 2002-09-19 US disclosed
WO-2002036581-A1 RADIOPHARMACEUTICALS FOR DIAGNOSING ALZHEIMER'S DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-10 WO disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 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 (5 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-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease CCR1, CCR3, CCR2 HPGD 1915/4885HSD17B10 1872/4885ALDH1A1 852/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HPGD 198/4885HSD17B10 1581/4885ALDH1A1 465/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 HPGD 1458/4885HSD17B10 2297/4885ALDH1A1 1361/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HPGD 198/4885HSD17B10 1581/4885ALDH1A1 465/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 HPGD 48/4885HSD17B10 2310/4885ALDH1A1 306/4885

“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.