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Sugi Predict / Compounds / SCHEMBL5055860

SCHEMBL5055860

SCHEMBL5055860

COC(=O)c1cc(OC)c(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CCR1 P32246 1/20 0.53
▸ LMNA P02545 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ ABCB11 O95342 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
▸ SLC6A4 P31645 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ OPRM1 P35372 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
SCHEMBL5134387 0.91 ALDH1A1 (0.60) CYP3A4ALDH1A1CYP2C9CCR1LMNA
SCHEMBL5060249 0.91 CYP3A4 (0.57) CYP3A4ALDH1A1CYP2C9CCR1LMNA
SCHEMBL5059209 0.89 MAPT (0.56) CYP3A4ALDH1A1CYP2C9GAAMAPT
SCHEMBL5060331 0.89 CCR1 (0.57) CYP3A4ALDH1A1CYP2C9GAAMAPT
SCHEMBL5059326 0.88 MAPT (0.55) CYP3A4ALDH1A1CYP2C9GAAMAPT
SCHEMBL5061252 0.88 ALDH1A1 (0.62) CYP3A4ALDH1A1CYP2C9CCR1LMNA
SCHEMBL5064206 0.86 CYP3A4 (0.60) CYP3A4ALDH1A1CYP2C9GAAMAPT
SCHEMBL5066457 0.86 ALDH1A1 (0.58) CYP3A4ALDH1A1CYP2C9GAACCR1
SCHEMBL5064447 0.86 ALDH1A1 (0.57) CYP3A4ALDH1A1CYP2C9CCR1LMNA
SCHEMBL5055830 0.86 MAPT (0.53) CYP3A4ALDH1A1CYP2C9GAAMAPT

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 17 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
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 CYP3A4 796/4885ALDH1A1 465/4885CYP2C9 2004/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CYP3A4 796/4885ALDH1A1 465/4885CYP2C9 2004/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CYP3A4 796/4885ALDH1A1 465/4885CYP2C9 2004/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CYP3A4 796/4885ALDH1A1 465/4885CYP2C9 2004/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CYP3A4 1794/4885ALDH1A1 306/4885CYP2C9 2891/4885

“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.