SCHEMBL4589237

SCHEMBL4589237

C[N]C(=O)CNC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.52
CRHBP P24387 1/20 0.52
RAB9A P51151 1/20 0.52
CRHR2 Q13324 1/20 0.52
NPY5R Q15761 2/20 0.52
MTNR1B P49286 1/20 0.52
NAMPT P43490 1/20 0.52
TGM2 P21980 1/20 0.51
RNF4 P78317 1/20 0.51
EPHX1 P07099 1/20 0.51
MAPK1 P28482 1/20 0.51
F2 P00734 1/20 0.51
F7 P08709 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4587332 0.87 EPHX1 (0.53) HPGDSMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL4587911 0.82 MAPK14 (0.53) HPGDSMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL7951914 0.81 RECQL (0.63) HPGDSMN1; SMN2NAMPTRNF4F2
SCHEMBL27655204 0.81 CA12 (0.57) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL4588804 0.81 NAMPT (0.55) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL30053559 0.78 CA12 (0.73) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL7937937 0.77 RECQL (0.65) HPGDNPC1RAB9ANAMPTRNF4
SCHEMBL21295380 0.77 CA12 (0.71) HPGDSMN1; SMN2RAB9ATGM2RNF4
SCHEMBL8901288 0.76 HPGD (0.67) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL6689395 0.75 RNF4 (0.68) HPGDSMN1; SMN2NPC1CRHBPRAB9A

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 HPGD 198/4885SMN1; SMN2 4729/4885NPC1 970/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HPGD 198/4885SMN1; SMN2 4729/4885NPC1 970/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 HPGD 1458/4885SMN1; SMN2 4250/4885NPC1 2797/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HPGD 198/4885SMN1; SMN2 4729/4885NPC1 970/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HPGD 198/4885SMN1; SMN2 4729/4885NPC1 970/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 HPGD 1162/4885SMN1; SMN2 4320/4885NPC1 2624/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 HPGD 48/4885SMN1; SMN2 4648/4885NPC1 3725/4885

“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.