SCHEMBL5060360

SCHEMBL5060360

COc1ccc(C(=O)O)cc1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.56
CCR1 P32246 1/20 0.55
F10 P00742 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 5/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL5055631 0.96 MRGPRX4 (0.61) MRGPRX4CCR1F10LMNAPOLB
SCHEMBL8113787 0.89 ALDH1A1 (0.52) LMNAPOLBCYP3A4ALDH1A1CYP2C9
SCHEMBL5134387 0.88 ALDH1A1 (0.60) MRGPRX4CCR1LMNAPOLBCYP3A4
SCHEMBL5061481 0.88 KDM4E (0.57) CCR1F10LMNAPOLBCYP3A4
SCHEMBL5064235 0.88 CCR1 (0.58) CCR1F10LMNAPOLBCYP3A4
SCHEMBL5059401 0.88 ENPP2 (0.61) MRGPRX4CCR1LMNAPOLBCYP3A4
SCHEMBL5055998 0.88 KMT2A (0.57) MRGPRX4CCR1F10LMNAPOLB
SCHEMBL5055612 0.87 LMNA (0.56) CCR1LMNAPOLBCYP3A4ALDH1A1
SCHEMBL5064434 0.87 KDM4E (0.58) CCR1LMNAPOLBCYP3A4ALDH1A1
SCHEMBL5060331 0.87 CCR1 (0.57) MRGPRX4CCR1F10LMNAPOLB

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-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-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 (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 MRGPRX4 601/4885CCR1 364/4885F10 4346/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MRGPRX4 601/4885CCR1 364/4885F10 4346/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MRGPRX4 601/4885CCR1 364/4885F10 4346/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MRGPRX4 601/4885CCR1 364/4885F10 4346/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 MRGPRX4 2052/4885CCR1 4304/4885F10 3035/4885

“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.