SCHEMBL5066313

SCHEMBL5066313

COc1cc(CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.65
MEN1 O00255 5/20 0.65
KDM4E B2RXH2 5/20 0.60
CYP2C9 P11712 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
MCL1 Q07820 1/20 0.59
POLB P06746 2/20 0.58
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 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
SCHEMBL5061312 0.83 ALDH1A1 (0.71) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL14218137 0.83 KDM4E (0.65) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL5059428 0.82 ALDH1A1 (0.80) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL1617330 0.81 KDM4E (0.63) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL5061252 0.81 ALDH1A1 (0.62) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL13097845 0.80 KDM4E (0.70) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL4377754 0.79 KDM4E (0.60) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL5061463 0.79 CYP3A4 (0.59) KMT2AMEN1KDM4ECYP2C9HSD17B10
SCHEMBL5060238 0.79 CYP3A4 (0.54) KMT2AMEN1KDM4ECYP2C9CYP2C19
SCHEMBL5059480 0.79 ALDH1A1 (0.62) KDM4ECYP2C9HSD17B10CYP2C19MCL1

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 19 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
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP 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-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO 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 (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 KMT2A 2116/4885MEN1 4795/4885KDM4E 1780/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES KMT2A 2116/4885MEN1 4795/4885KDM4E 1780/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES KMT2A 2116/4885MEN1 4795/4885KDM4E 1780/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES KMT2A 2116/4885MEN1 4795/4885KDM4E 1780/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 KMT2A 1364/4885MEN1 3877/4885KDM4E 1071/4885

“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.