SCHEMBL4588620

SCHEMBL4588620

NC(=O)N(c1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
PARP1 P09874 1/20 0.46
PTGIR P43119 3/20 0.40
PTGDR Q13258 1/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL27950444 0.93 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28100030 0.90 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL27946912 0.90 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4587677 0.85 NPC1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27494617 0.85 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL27929717 0.84 NPSR1 (0.48) PTGIRPTGDRMAPTRAB9ASMN1; SMN2
SCHEMBL8208408 0.84 ALDH1A1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL27958928 0.83 LMNA (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4301185 0.83 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6820717 0.82 ALDH1A1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C

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
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
CN-1938029-A Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma UNIV PITTSBURGH (DE) 2007-03-28 CN disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
CN-1838957-A Chemokine inhibiting piperazine derivatives and their use to treat myocarditis SCHERING AKTIEGESELLSCHAFT (DE) 2006-09-27 CN 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
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-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
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 (6 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 HTR3E 1363/4885HTR3B 1754/4885HTR3A 1620/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HTR3E 1363/4885HTR3B 1754/4885HTR3A 1620/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 HTR3E 1435/4885HTR3B 1456/4885HTR3A 1298/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HTR3E 1363/4885HTR3B 1754/4885HTR3A 1620/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES HTR3E 1363/4885HTR3B 1754/4885HTR3A 1620/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 HTR3E 3671/4885HTR3B 2514/4885HTR3A 1999/4885

“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.