SCHEMBL4533135

SCHEMBL4533135

CCOC(=O)C[C@H]1NCC(C)(C)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
POLB P06746 3/20 0.41
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 3/20 0.36
ALOX15 P16050 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4522976 1.00 CYP1A2 (0.42) CYP1A2POLBHSD17B10TSHRMAPT
SCHEMBL10759870 0.84 GAA (0.42) HSD17B10HTTGLAKDM4EALDH1A1
SCHEMBL7498041 0.75 GLA (0.62) CYP1A2POLBTSHRMAPTHTT
SCHEMBL643035 0.75 GLA (0.62) CYP1A2POLBTSHRMAPTHTT
SCHEMBL12641073 0.73 POLB (0.53) CYP1A2POLBTSHRMAPTGLA
SCHEMBL12480441 0.67 HTT (0.53) CYP1A2POLBHSD17B10TSHRMAPT
SCHEMBL11307625 0.67 ITGB1 (0.55) CYP1A2POLBHSD17B10TSHRMAPT
SCHEMBL3496501 0.67 MAPT (0.45) POLBHSD17B10TSHRMAPTHTT
SCHEMBL7990106 0.67 TSHR (0.39) CYP1A2POLBHSD17B10TSHRMAPT
SCHEMBL11116359 0.66 MGAM (0.43) CYP1A2POLBHSD17B10TSHRMAPT

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 CYP1A2 37/4885POLB 1384/4885HSD17B10 1476/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE CYP1A2 85/4885POLB 3504/4885HSD17B10 1393/4885

“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.