SCHEMBL4521979

SCHEMBL4521979

Cc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(=O)NC(c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.42
EPHX2 P34913 5/20 0.40
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EBP Q15125 1/20 0.35
DHCR7 Q9UBM7 1/20 0.35
ITGAV P06756 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
MDM4 O15151 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 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
SCHEMBL13936505 1.00 BDKRB1 (0.42) BDKRB1EPHX2SLC6A4SLC6A3EBP
SCHEMBL4524472 0.83 BDKRB1 (0.40) BDKRB1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL4524747 0.83 BDKRB1 (0.40) BDKRB1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL14307677 0.80 BDKRB1 (0.40) BDKRB1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL13936511 0.79 BDKRB1 (0.49) BDKRB1EPHX2KMT2AMEN1
SCHEMBL4519833 0.79 BDKRB1 (0.49) BDKRB1EPHX2KMT2AMEN1
SCHEMBL14117300 0.79 BDKRB1 (0.55) BDKRB1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL13936513 0.79 BDKRB1 (0.55) BDKRB1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL4532934 0.77 BDKRB1 (0.61) BDKRB1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL4517604 0.77 BDKRB1 (0.61) BDKRB1EPHX2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO 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 (2 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS BDKRB1 259/4885EPHX2 372/4885SLC6A4 3112/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE BDKRB1 533/4885EPHX2 397/4885SLC6A4 2642/4885

“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.