SCHEMBL5060657

SCHEMBL5060657

O=C(O)Cc1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPT P10636 1/20 0.60
ALOX12 P18054 1/20 0.60
HTT P42858 3/20 0.58
TSHR P16473 2/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.56
CCR1 P32246 1/20 0.56
LMNA P02545 6/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP3A4 P08684 2/20 0.54
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM1 P11229 1/20 0.54
TBXA2R P21731 1/20 0.54

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
SCHEMBL5971758 0.94 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5056360 0.90 SMN1; SMN2 (0.74) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5055990 0.89 PTGDR2 (0.54) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5060257 0.88 CYP3A4 (0.56) SMN1; SMN2GAAPTGDR2CCR1LMNA
SCHEMBL5059401 0.87 ENPP2 (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5064052 0.86 KDM4E (0.61) SMN1; SMN2NPSR1MAPTALOX12GAA
SCHEMBL5060966 0.85 TSHR (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5058952 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5063985 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1MAPTALOX12HTT
SCHEMBL5056149 0.85 RECQL (0.70) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 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-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
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO 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 (4 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-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.