SCHEMBL5065950

SCHEMBL5065950

CCC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.68
MDH2 P40926 1/20 0.68
LMNA P02545 3/20 0.61
CYP3A4 P08684 2/20 0.61
ABCB11 O95342 1/20 0.61
CYP1A2 P05177 1/20 0.61
ADRA2A P08913 1/20 0.61
CYP2D6 P10635 1/20 0.61
CHRM1 P11229 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61
HIF1A Q16665 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60

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
SCHEMBL5055958 0.90 MDH1 (0.83) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5066438 0.90 MDH1 (0.66) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5066354 0.87 LMNA (0.76) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5512478 0.86 CYP3A4 (0.69) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5061572 0.86 POLB (0.69) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5063892 0.86 ALDH1A1 (0.62) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5066121 0.85 MDH1 (0.75) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5055672 0.85 CCR1 (0.53) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5059716 0.84 CYP3A4 (0.66) MDH1MDH2LMNACYP3A4ABCB11
SCHEMBL5061335 0.84 CYP3A4 (0.66) MDH1MDH2LMNACYP3A4ABCB11

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 MDH1 2807/4885MDH2 1936/4885LMNA 4370/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MDH1 2807/4885MDH2 1936/4885LMNA 4370/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MDH1 2807/4885MDH2 1936/4885LMNA 4370/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MDH1 2807/4885MDH2 1936/4885LMNA 4370/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 MDH1 231/4885MDH2 335/4885LMNA 3761/4885

“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.