SCHEMBL5055459

SCHEMBL5055459

COc1cc(OCC(=O)N2CCN(Cc3cccc(Br)c3)CC2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
CYP2C9 P11712 2/20 0.69
CYP3A4 P08684 1/20 0.69
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 6/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL5060145 0.89 ALDH1A1 (0.70) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5066240 0.88 ALDH1A1 (0.83) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5061314 0.88 ALDH1A1 (0.69) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5055805 0.88 ALDH1A1 (0.69) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL7225070 0.86 ALDH1A1 (0.72) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5059245 0.86 ALDH1A1 (0.76) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5061349 0.85 ALDH1A1 (0.66) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5065913 0.85 ALDH1A1 (0.74) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5064496 0.85 ALDH1A1 (0.68) ALDH1A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5055777 0.85 ALDH1A1 (0.66) ALDH1A1CYP2C9CYP3A4MEN1KMT2A

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 16 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-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 ALDH1A1 465/4885CYP2C9 2004/4885CYP3A4 796/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885CYP2C9 2004/4885CYP3A4 796/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885CYP2C9 2004/4885CYP3A4 796/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885CYP2C9 2004/4885CYP3A4 796/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 ALDH1A1 306/4885CYP2C9 2891/4885CYP3A4 1794/4885

“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.