SCHEMBL4586528

SCHEMBL4586528

CCNC(=O)NCCCCl

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.52
FAAH O00519 2/20 0.50
EPHX2 P34913 1/20 0.47
PRMT1 Q99873 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CNR2 P34972 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
SCHEMBL15547605 0.88 EPHX1 (0.50) EPHX1FAAHEPHX2PRMT1ALDH1A1
SCHEMBL10083913 0.86
SCHEMBL13135023 0.85 EPHX1 (0.61) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL14198101 0.85 EPHX1 (0.68) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL9763831 0.84 EPHX1 (0.75) EPHX1FAAHEPHX2
SCHEMBL10399741 0.83 EPHX1 (0.73) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL10645500 0.83 EPHX1 (0.79) EPHX1FAAHEPHX2
SCHEMBL969649 0.81 EPHX1 (0.74) EPHX1EPHX2
SCHEMBL23173031 0.80 EPHX1 (0.52) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL2446588 0.79 EPHX1 (0.54) EPHX1EPHX2PRMT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 US disclosed
EP-1254899-B1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2005-05-25 EP disclosed
US-20050043318-A1 Chemokine inhibiting piperazine derivatives and their use to treat myocarditis SCHERING AKTIEGESELLSCHAFT (DE) 2005-02-24 US disclosed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-6573266-B1 Compounds used for treating multitiple sclerosis and encephalomyelitis SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-03 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-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 (8 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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885FAAH 247/4885EPHX2 618/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885FAAH 247/4885EPHX2 618/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 EPHX1 987/4885FAAH 2108/4885EPHX2 1391/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885FAAH 247/4885EPHX2 618/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885FAAH 247/4885EPHX2 618/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 EPHX1 2046/4885FAAH 3624/4885EPHX2 2571/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 EPHX1 1403/4885FAAH 1593/4885EPHX2 2184/4885
US-20050043318-A1 Chemokine inhibiting piperazine derivatives and their use to treat myocarditis CCL2, CCR2, CXCL10 EPHX1 987/4885FAAH 2108/4885EPHX2 1391/4885

“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.