SCHEMBL5065732

SCHEMBL5065732

COc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.75
SMN1; SMN2 Q16637 4/20 0.74
ALDH1A1 P00352 8/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
LMNA P02545 4/20 0.69
GAA P10253 1/20 0.69
MAPK1 P28482 3/20 0.67
ACHE P22303 2/20 0.66
FAAH O00519 1/20 0.66
USP2 O75604 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.65
HTT P42858 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 1/20 0.62

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
SCHEMBL5513707 0.91 ALDH1A1 (0.68) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL5064660 0.91 ACHE (0.77) SMN1; SMN2ALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL5059902 0.89 ALDH1A1 (0.78) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL5059344 0.89 SMN1; SMN2 (0.77) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL5063966 0.88 ALDH1A1 (0.67) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL5055810 0.88 ALDH1A1 (0.67) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL5060092 0.88 ALDH1A1 (0.67) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL5061043 0.88 KMT2A (0.79) SMN1; SMN2ALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL5059977 0.88 ALDH1A1 (0.64) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL5061523 0.88 ALDH1A1 (0.64) GHSRSMN1; SMN2ALDH1A1CYP3A4CYP2C9

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 GHSR 4223/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES GHSR 4223/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES GHSR 4223/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES GHSR 4223/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 GHSR 3715/4885SMN1; SMN2 4648/4885ALDH1A1 306/4885

“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.