SCHEMBL4588095

SCHEMBL4588095

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.40
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL14516286 0.81 RECQL (0.41) SPRRECQLNPSR1HPGDALDH1A1
SCHEMBL23135465 0.79 RECQL (0.61) SPRRECQLNPSR1HPGDALDH1A1
SCHEMBL2252214 0.79 EGLN1 (0.52) SPRRECQLNPSR1HPGDALDH1A1
SCHEMBL15701340 0.79 TSHR (0.40) SPRRECQLNPSR1HPGDALDH1A1
SCHEMBL4589048 0.78 HPGD (0.38) HPGDALDH1A1HSD17B10KDM4ETSHR
SCHEMBL3349993 0.77 RECQL (0.39) SPRRECQLNPSR1HPGDALDH1A1
SCHEMBL23522323 0.77 RECQL (0.39) SPRRECQLNPSR1HPGDALDH1A1
SCHEMBL14253415 0.76
SCHEMBL24242126 0.76 RECQL (0.38) SPRRECQLNPSR1HPGDALDH1A1
SCHEMBL2730627 0.75 SPR (0.49) SPRNPSR1HPGDALDH1A1HSD17B10

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 37 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-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 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-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
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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 SPR 864/4885RECQL 1811/4885NPSR1 63/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SPR 2977/4885RECQL 4413/4885NPSR1 575/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 SPR 1163/4885RECQL 3210/4885NPSR1 159/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SPR 2977/4885RECQL 4413/4885NPSR1 575/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SPR 3094/4885RECQL 1255/4885NPSR1 721/4885

“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.