SCHEMBL5056360

SCHEMBL5056360

O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
NPSR1 Q6W5P4 2/20 0.74
MAPT P10636 1/20 0.74
ALOX12 P18054 1/20 0.74
HTT P42858 3/20 0.72
TSHR P16473 2/20 0.70
GAA P10253 2/20 0.70
HPGD P15428 1/20 0.70
CCR1 P32246 1/20 0.63
LMNA P02545 4/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
ACHE P22303 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 2/20 0.59
ABCB11 O95342 1/20 0.59
CYP1A2 P05177 1/20 0.59
ADRA2A P08913 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL5058952 0.91 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5063985 0.91 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5060966 0.91 TSHR (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5056149 0.91 RECQL (0.70) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5055636 0.90 FKBP1A (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5061103 0.90 CCR1 (0.60) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5059401 0.90 ENPP2 (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5060657 0.90 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1MAPTALOX12HTT
Hydrochloric Acid SCHEMBL5064423 0.90 RECQL (0.69) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5064502 0.89 NPSR1 (0.66) SMN1; SMN2NPSR1MAPTALOX12HTT

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-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US claimed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US claimed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US claimed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP claimed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP claimed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO claimed
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-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
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 (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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885NPSR1 575/4885MAPT 3514/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885NPSR1 575/4885MAPT 3514/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885NPSR1 575/4885MAPT 3514/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885NPSR1 575/4885MAPT 3514/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SMN1; SMN2 4648/4885NPSR1 721/4885MAPT 2362/4885

“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.