SCHEMBL4761371

SCHEMBL4761371

O=C(NCCC1CCN(c2ccncc2)CC1)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.68
ALDH1A1 P00352 1/20 0.51
ACHE P22303 1/20 0.51
GSK3B P49841 1/20 0.51
F10 P00742 2/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL4711922 0.94 BDKRB1 (0.60) BDKRB1ACHEGSK3BF10
SCHEMBL4717773 0.91 BDKRB1 (0.56) BDKRB1ACHEGSK3BF10
SCHEMBL4716382 0.90 BDKRB1 (0.67) BDKRB1ACHEGSK3B
SCHEMBL4712113 0.89 BDKRB1 (0.59) BDKRB1ACHEGSK3BF10
SCHEMBL4713599 0.88 ACHE (0.59) BDKRB1ACHEGSK3BF10
SCHEMBL4713232 0.88 BDKRB1 (0.53) BDKRB1KCNK3KCNK9
SCHEMBL4713296 0.88 BDKRB1 (0.68) BDKRB1F10
SCHEMBL4713548 0.87 BDKRB1 (0.72) BDKRB1F10
SCHEMBL4714750 0.85 BDKRB1 (0.66) BDKRB1F10
SCHEMBL4716016 0.85 BDKRB1 (0.66) 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 3 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 claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 BDKRB1 1/4885ALDH1A1 3073/4885ACHE 2716/4885

“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.