SCHEMBL5060075

SCHEMBL5060075

O=C(COc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
POLB P06746 4/20 0.69
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 1/20 0.63
HTT P42858 1/20 0.62
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 1/20 0.61
USP2 O75604 1/20 0.57
ACHE P22303 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
HTR7 P34969 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.55

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
SCHEMBL5059450 0.92 MEN1 (0.67) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL27979631 0.89 MEN1 (0.88) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5060690 0.86 RECQL (0.70) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL24158064 0.85 KMT2A (0.72) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5061449 0.85 ALDH1A1 (0.59) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL7228265 0.84 LMNA (0.54) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5059028 0.84 LMNA (0.63) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5135579 0.84 ALDH1A1 (0.70) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5064660 0.83 ACHE (0.77) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5059779 0.83 TP53 (0.71) MEN1KMT2APOLBALDH1A1TP53

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
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN 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 MEN1 4795/4885KMT2A 2116/4885POLB 3298/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MEN1 4795/4885KMT2A 2116/4885POLB 3298/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MEN1 4795/4885KMT2A 2116/4885POLB 3298/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MEN1 4795/4885KMT2A 2116/4885POLB 3298/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 MEN1 3877/4885KMT2A 1364/4885POLB 1427/4885

“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.