SCHEMBL4517111

SCHEMBL4517111

N[C@H]1CCCc2cc(CO)ccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ACHE P22303 2/20 0.39

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
SCHEMBL1726878 1.00 OPRD1 (0.45) OPRD1ESR1ESR2ACHE
SCHEMBL1726880 1.00 OPRD1 (0.45) OPRD1ESR1ESR2ACHE
SCHEMBL3531383 0.90 ESR1 (0.41) OPRD1ESR1ESR2ACHE
SCHEMBL3531382 0.90 ESR1 (0.41) OPRD1ESR1ESR2ACHE
SCHEMBL16543139 0.83 OPRD1 (0.47) OPRD1ESR1ESR2ACHE
SCHEMBL16543141 0.83 OPRD1 (0.47) OPRD1ESR1ESR2ACHE
SCHEMBL18616366 0.83 OPRD1 (0.47) OPRD1ESR1ESR2ACHE
SCHEMBL4345322 0.81 ESR1 (0.45) OPRD1ESR1ESR2
SCHEMBL13499147 0.81 OPRD1 (0.47) OPRD1ESR1ESR2ACHE
SCHEMBL2094022 0.80 ESR1 (0.44) ESR1ESR2

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 OPRD1 160/4885ESR1 3251/4885ESR2 987/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE OPRD1 260/4885ESR1 3607/4885ESR2 2345/4885

“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.