SCHEMBL4990808

SCHEMBL4990808

Cc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)N[C@@H]2CCCc3cc(CNCC(C)(C)C)ccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 1.00
CYP3A4 P08684 1/20 1.00

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
SCHEMBL13936520 1.00 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4958257 1.00 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4958632 0.94 BDKRB1 (0.89) BDKRB1CYP3A4
SCHEMBL4959111 0.94 BDKRB1 (0.88) BDKRB1CYP3A4
SCHEMBL4957954 0.93 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4522240 0.93 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL13955195 0.93 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4957055 0.92 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4957994 0.92 BDKRB1 (0.86) BDKRB1CYP3A4
SCHEMBL4958197 0.91 BDKRB1 (0.85) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US claimed
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

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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS BDKRB1 259/4885CYP3A4 105/4885

“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.