SCHEMBL3534929

SCHEMBL3534929

CC(=O)c1ccc2c(c1)CCCC2NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.43
TAS1R3 Q7RTX0 5/20 0.42
TAS1R1 Q7RTX1 5/20 0.42
HTT P42858 1/20 0.41
TAS1R2 Q8TE23 4/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3534933 1.00 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL14902975 0.93 CA12 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL2629483 0.89 KMT2A (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL21178689 0.86 KMT2A (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL21183420 0.85 LMNA (0.51) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL29372292 0.85 TAS1R3 (0.48) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL16809869 0.84 KMT2A (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL30444207 0.84 KMT2A (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL803438 0.83 PDE4A (0.45) KMT2AMEN1MAPTTAS1R3TAS1R1
SCHEMBL8225460 0.83 PDE4A (0.45) KMT2AMEN1MAPTTAS1R3TAS1R1

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 14 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-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 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-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
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-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 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 (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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885KMT2A 4129/4885SMN1; SMN2 1190/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885KMT2A 4129/4885SMN1; SMN2 1190/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S ALDH1A1 158/4885KMT2A 1654/4885SMN1; SMN2 1336/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ALDH1A1 184/4885KMT2A 2982/4885SMN1; SMN2 1545/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE ALDH1A1 81/4885KMT2A 3615/4885SMN1; SMN2 618/4885

“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.