SCHEMBL4957862

SCHEMBL4957862

O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2cc(CNCCc3ccccc3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.74
CYP3A4 P08684 1/20 0.69

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
SCHEMBL4957109 0.97 BDKRB1 (0.74) BDKRB1CYP3A4
SCHEMBL4957947 0.94 BDKRB1 (0.78) BDKRB1CYP3A4
SCHEMBL4957080 0.91 BDKRB1 (0.70) BDKRB1CYP3A4
SCHEMBL4957113 0.90 BDKRB1 (0.67) BDKRB1CYP3A4
SCHEMBL4957987 0.90 BDKRB1 (0.82) BDKRB1CYP3A4
SCHEMBL4958387 0.89 BDKRB1 (0.77) BDKRB1CYP3A4
SCHEMBL4958039 0.88 BDKRB1 (0.76) BDKRB1CYP3A4
SCHEMBL4959111 0.88 BDKRB1 (0.88) BDKRB1CYP3A4
SCHEMBL4957916 0.88 BDKRB1 (0.77) BDKRB1CYP3A4
SCHEMBL4957935 0.88 BDKRB1 (0.88) 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
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US claimed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP 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 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

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 195/4885

“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.