SCHEMBL5060710

SCHEMBL5060710

COc1cc(C)ccc1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
CCR1 P32246 1/20 0.57
SMN1; SMN2 Q16637 6/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 3/20 0.53
ABCB11 O95342 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.53

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
SCHEMBL5064434 0.96 KDM4E (0.58) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5060462 0.92 CCR1 (0.63) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5060966 0.91 TSHR (0.61) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5059423 0.90 TSHR (0.58) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5066421 0.90 CCR1 (0.58) MAPTKDM4EMEN1KMT2ACCR1
SCHEMBL5061183 0.89 CCR1 (0.57) MAPTKDM4EMEN1KMT2ACCR1
SCHEMBL5061406 0.89 MEN1 (0.72) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5064008 0.89 SMN1; SMN2 (0.65) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5066440 0.89 KDM4E (0.60) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5063868 0.88 CCR1 (0.56) MAPTKDM4EMEN1KMT2ACCR1

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 MAPT 3514/4885KDM4E 1780/4885MEN1 4795/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MAPT 3514/4885KDM4E 1780/4885MEN1 4795/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MAPT 3514/4885KDM4E 1780/4885MEN1 4795/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MAPT 3514/4885KDM4E 1780/4885MEN1 4795/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 MAPT 2362/4885KDM4E 1071/4885MEN1 3877/4885

“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.