SCHEMBL4716488

SCHEMBL4716488

O=C(NCCC1CCN(c2ccncc2)CC1)c1cccc(-c2cc3ccccc3s2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.50
BDKRB1 P46663 9/20 0.47
NAMPT P43490 1/20 0.44
F10 P00742 1/20 0.44
VCP P55072 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
CHRM4 P08173 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL4713068 0.86 BDKRB1 (0.47) BDKRB1NAMPTF10SIRT2SIRT1
SCHEMBL4717344 0.85 BDKRB1 (0.51) CD274BDKRB1NAMPTF10CHRM4
SCHEMBL4790805 0.83 VCP (0.54) BDKRB1VCP
SCHEMBL4759102 0.82 BDKRB1 (0.49) BDKRB1F10
SCHEMBL14587844 0.82 HRH3 (0.50) BDKRB1F10VCP
SCHEMBL4714037 0.79 CETP (0.48) BDKRB1F10
SCHEMBL4711929 0.79 KDM4E (0.48) BDKRB1F10
SCHEMBL4714624 0.79 BDKRB1 (0.51) BDKRB1F10SIRT2SIRT1SIRT3
SCHEMBL4714139 0.79 BDKRB1 (0.47) BDKRB1F10
SCHEMBL4714173 0.76 BDKRB1 (0.51) BDKRB1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CD274 3403/4885BDKRB1 1/4885NAMPT 1523/4885

“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.