SCHEMBL4589306

SCHEMBL4589306

[CH2]CCOC(=O)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 5/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MAOA P21397 1/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL10534544 0.87 MEN1 (0.39) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL16965411 0.85 MEN1 (0.48) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL16965707 0.81 MEN1 (0.45) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL8909513 0.81 MEN1 (0.45) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL515159 0.81 MEN1 (0.45) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL14999308 0.79 KMT2A (0.43) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL11300789 0.78 EPHX1 (0.41) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL12928370 0.77 MEN1 (0.42) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL20968172 0.77 MEN1 (0.42) MEN1KMT2ACHRNB2CHRNA4CHRM2
SCHEMBL11171929 0.77 MEN1 (0.42) MEN1KMT2ACHRNB2CHRNA4CHRM2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
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
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP 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-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 US disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
US-5714616-A FOR USE IN NONLINEAR OPTICS BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0757707-A1 THIAZOLE METHINE DYES BASF AKTIENGESELLSCHAFT (DE) 1997-02-12 EP disclosed
EP-0754709-A1 Copolymers with adamantyl and dye stuff side chains BASF AKTIENGESELLSCHAFT (DE) 1997-01-22 EP disclosed
US-5476848-A Antihistamines SANKYO COMPANY, LIMITED (JP) 1995-12-19 US disclosed
WO-1995029958-A1 THIAZOLE METHINE DYES BASF AKTIENGESELLSCHAFT (DE) 1995-11-09 WO disclosed
US-5461051-A Tetracyclic compounds having anti-allergic and anti-asthmatic activities and their use SANKYO COMPANY, LIMITED (JP) 1995-10-24 US disclosed
WO-1995020181-A1 METHINE DYES FOR NON-LINEAR OPTICS BASF AKTIENGESELLSCHAFT (DE) 1995-07-27 WO disclosed
US-5362725-A Antiallergens, antiasthmatic SANKYO COMPANY, LIMITED (JP) 1994-11-08 US disclosed
EP-0421823-A2 Novel tetracyclic compounds having anti-allergic and anti-asthmatic activities, their preparation and use Sankyo Company Limited (JP) 1991-04-10 EP 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 (4 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-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES MEN1 4795/4885KMT2A 2116/4885CHRNB2 4794/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 MEN1 4643/4885KMT2A 2879/4885CHRNB2 2728/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 MEN1 2043/4885KMT2A 1081/4885CHRNB2 4662/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 MEN1 3877/4885KMT2A 1364/4885CHRNB2 4629/4885

“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.