SCHEMBL5060901

SCHEMBL5060901

O=C(CSc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
KMT2A Q03164 4/20 0.66
RAB9A P51151 3/20 0.66
ALDH1A1 P00352 3/20 0.65
FKBP1A P62942 2/20 0.61
POLB P06746 2/20 0.59
LMNA P02545 1/20 0.59
HTR7 P34969 1/20 0.58
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 3/20 0.55
FAAH O00519 1/20 0.54

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
SCHEMBL13149275 0.81 ALDH1A1 (0.77) SMN1; SMN2KMT2AALDH1A1POLBLMNA
SCHEMBL9529304 0.79 RAB9A (0.97) SMN1; SMN2KMT2ARAB9AALDH1A1FKBP1A
SCHEMBL5061043 0.76 KMT2A (0.79) SMN1; SMN2KMT2ARAB9AALDH1A1POLB
SCHEMBL13149349 0.76 KDM4E (0.78) SMN1; SMN2KMT2AALDH1A1LMNAMAPK1
SCHEMBL6212172 0.76 MGLL (0.63) SMN1; SMN2KMT2ARAB9AALDH1A1FKBP1A
SCHEMBL24564652 0.76 KMT2A (0.57) SMN1; SMN2KMT2ARAB9AALDH1A1FKBP1A
SCHEMBL5064043 0.75 ALDH1A1 (0.71) SMN1; SMN2KMT2ARAB9AALDH1A1POLB
SCHEMBL6681439 0.75 ALDH1A1 (0.83) SMN1; SMN2KMT2AALDH1A1LMNAALOX15
SCHEMBL10502128 0.75 POLB (0.70) SMN1; SMN2KMT2AALDH1A1POLBLMNA
SCHEMBL1412324 0.75 HPGD (0.73) SMN1; SMN2KMT2ARAB9AALDH1A1POLB

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 SMN1; SMN2 4729/4885KMT2A 2116/4885RAB9A 3844/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885KMT2A 2116/4885RAB9A 3844/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885KMT2A 2116/4885RAB9A 3844/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885KMT2A 2116/4885RAB9A 3844/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SMN1; SMN2 4648/4885KMT2A 1364/4885RAB9A 3693/4885

“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.