SCHEMBL5009031

SCHEMBL5009031

Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCS(O)(O)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.61
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL5009027 0.92 BDKRB1 (0.69) BDKRB1CYP3A4ALDH1A1POLBMAPT
SCHEMBL3534779 0.82 BDKRB1 (0.85) BDKRB1
SCHEMBL4958197 0.77 BDKRB1 (0.85) BDKRB1CYP3A4
SCHEMBL14155431 0.77 BDKRB1 (0.87) BDKRB1CYP3A4
SCHEMBL4515770 0.77 BDKRB1 (0.87) BDKRB1CYP3A4
SCHEMBL14117315 0.77 BDKRB1 (0.87) BDKRB1CYP3A4
SCHEMBL4514384 0.76 BDKRB1 (0.86) BDKRB1CYP3A4
SCHEMBL4514382 0.76 BDKRB1 (0.86) BDKRB1CYP3A4
SCHEMBL5983359 0.76 BDKRB1 (0.88) BDKRB1CYP3A4
SCHEMBL4530960 0.76 BDKRB1 (1.00) BDKRB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP claimed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO claimed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE BDKRB1 533/4885CYP3A4 195/4885ALDH1A1 81/4885

“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.