SCHEMBL5065896

SCHEMBL5065896

O=C(COc1cccc(OC(F)(F)F)c1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
LMNA P02545 4/20 0.59
GAA P10253 3/20 0.59
ACHE P22303 1/20 0.58
KDM4E B2RXH2 6/20 0.58
TDP1 Q9NUW8 1/20 0.58
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.55
USP2 O75604 2/20 0.54
CHRM4 P08173 2/20 0.54
HTT P42858 1/20 0.53
POLB P06746 1/20 0.52
GPR183 P32249 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
SCHEMBL5064504 0.91 LMNA (0.58) ALDH1A1LMNAGAAACHEKDM4E
SCHEMBL5065748 0.87 ALDH1A1 (0.70) ALDH1A1LMNAGAAACHEKDM4E
SCHEMBL5059902 0.85 ALDH1A1 (0.78) ALDH1A1LMNAGAAACHEKDM4E
SCHEMBL5064660 0.84 ACHE (0.77) ALDH1A1LMNAGAAACHEKDM4E
SCHEMBL5065960 0.84 ACHE (0.66) ALDH1A1LMNAGAAACHEKDM4E
SCHEMBL5061016 0.83 KDM4E (0.62) ALDH1A1LMNAGAAACHEKDM4E
SCHEMBL30387007 0.81 MGLL (0.57) ALDH1A1LMNAGAAKDM4EKMT2A
SCHEMBL2932104 0.81 MGLL (0.57) ALDH1A1LMNAGAAKDM4EKMT2A
SCHEMBL5061253 0.81 MDH1 (0.73) ALDH1A1LMNAGAAACHEKDM4E
SCHEMBL5513707 0.80 ALDH1A1 (0.68) ALDH1A1LMNAGAAACHEKDM4E

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 ALDH1A1 465/4885LMNA 4370/4885GAA 1892/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885LMNA 4370/4885GAA 1892/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885LMNA 4370/4885GAA 1892/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885LMNA 4370/4885GAA 1892/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 ALDH1A1 306/4885LMNA 3761/4885GAA 3794/4885

“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.