SCHEMBL3531363

SCHEMBL3531363

O=C1CCCc2c1cnn2CCO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.58
CSNK2A1 P68400 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
ELANE P08246 4/20 0.50
HTT P42858 2/20 0.50
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
CA4 P22748 7/20 0.42
CA9 Q16790 6/20 0.42
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL9149384 0.84 PLK1 (0.63) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL9142953 0.80 PLK1 (0.62) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL27832842 0.79 PLK1 (0.52) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL17895891 0.77 PLK1 (0.57) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL7489227 0.76 PLK1 (0.53) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL1986758 0.74 PLK1 (1.00) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL6663384 0.74 ELANE (0.55) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL3536391 0.74 PLK1 (0.50) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL20558012 0.73 ELANE (0.36) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL700290 0.73 ELANE (0.51) PLK1CSNK2A1PLK3ELANEHTT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
EP-1856074-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS Amgen, Inc (US) 2007-11-21 EP disclosed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP disclosed
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 US disclosed
WO-2006041888-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 2006-04-20 WO disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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 (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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S PLK1 4759/4885CSNK2A1 1032/4885PLK3 3007/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS PLK1 3683/4885CSNK2A1 1949/4885PLK3 1255/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 PLK1 4477/4885CSNK2A1 1105/4885PLK3 3277/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE PLK1 3911/4885CSNK2A1 1498/4885PLK3 4512/4885

“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.