SCHEMBL4517438

SCHEMBL4517438

N#Cc1ccc2c(c1)CCC[C@@H]2O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.58
CYP11B2 P19099 3/20 0.48
CYP11B1 P15538 2/20 0.48
LRRK2 Q5S007 7/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46

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
SCHEMBL4142468 1.00 PGR (0.58) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL29741012 1.00 PGR (0.58) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL1029126 0.90 PGR (0.56) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL29741231 0.90 PGR (0.56) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL9455945 0.90 PGR (0.56) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL23793044 0.90 PGR (0.56) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL2818458 0.87 PGR (0.48) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL1472539 0.85 PGR (0.46) PGRCYP11B2CYP11B1LRRK2AURKA
SCHEMBL14072565 0.80 LRRK2 (0.46) PGRCYP11B2LRRK2HTR6KDM1A
SCHEMBL4142891 0.80 CYP11B2 (0.49) PGRCYP11B2CYP11B1LRRK2HTR6

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 PGR 1655/4885CYP11B2 118/4885CYP11B1 193/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE PGR 2913/4885CYP11B2 553/4885CYP11B1 636/4885

“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.