SCHEMBL4589133

SCHEMBL4589133

C[N]C(=O)CNC(=O)NCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
PPID Q08752 1/20 0.59
EPHX1 P07099 1/20 0.56
PTPN1 P18031 2/20 0.54
EPHX2 P34913 1/20 0.53
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
PPIB P23284 1/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
P2RX7 Q99572 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CFD P00746 1/20 0.46

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
SCHEMBL4587911 0.87 MAPK14 (0.53) SMN1; SMN2PPIDPTPN1EPHX2LMNA
SCHEMBL714625 0.82 EPHX1 (0.77) SMN1; SMN2PPIDEPHX1PTPN1EPHX2
SCHEMBL7393991 0.80 EPHX1 (0.65) SMN1; SMN2PPIDEPHX1PTPN1EPHX2
SCHEMBL4587332 0.78 EPHX1 (0.53) SMN1; SMN2EPHX1EPHX2LMNATP53
SCHEMBL4589304 0.77 EPHX1 (0.61) SMN1; SMN2PPIDEPHX1PTPN1EPHX2
SCHEMBL969256 0.77 ALDH1A1 (0.55) SMN1; SMN2EPHX1LMNAMAPTALDH1A1
SCHEMBL970225 0.77 SMN1; SMN2 (0.70) SMN1; SMN2PPIDEPHX1PTPN1EPHX2
SCHEMBL13049648 0.75 SMN1; SMN2 (1.00) SMN1; SMN2PPIDEPHX1PTPN1EPHX2
SCHEMBL969258 0.74 SMN1; SMN2 (0.67) SMN1; SMN2PPIDEPHX1PTPN1EPHX2
SCHEMBL12643825 0.74 PPID (1.00) SMN1; SMN2PPIDEPHX1PTPN1EPHX2

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 21 patents — showing the first 20. 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
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
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
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO disclosed
EP-1254899-B1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2005-05-25 EP 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 (7 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 SMN1; SMN2 4729/4885PPID 1184/4885EPHX1 838/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885PPID 1184/4885EPHX1 838/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 SMN1; SMN2 4250/4885PPID 1356/4885EPHX1 987/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885PPID 1184/4885EPHX1 838/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885PPID 1184/4885EPHX1 838/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 SMN1; SMN2 4320/4885PPID 1818/4885EPHX1 2046/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SMN1; SMN2 4648/4885PPID 957/4885EPHX1 1403/4885

“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.