SCHEMBL4711922

SCHEMBL4711922

O=C(NCCC1CCN(c2ccncc2)CC1)c1cccc(NC(=O)c2cccc(Cl)c2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.60
ACHE P22303 1/20 0.50
GSK3B P49841 1/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
JAK2 O60674 1/20 0.48
F10 P00742 2/20 0.47
SLC2A1 P11166 1/20 0.45

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
SCHEMBL4761371 0.94 BDKRB1 (0.68) BDKRB1ACHEGSK3BF10
SCHEMBL4717773 0.90 BDKRB1 (0.56) BDKRB1ACHEGSK3BJAK2F10
SCHEMBL4713599 0.88 ACHE (0.59) BDKRB1ACHEGSK3BNPC1RAB9A
SCHEMBL4713232 0.85 BDKRB1 (0.53) BDKRB1
SCHEMBL4712113 0.85 BDKRB1 (0.59) BDKRB1ACHEGSK3BF10
SCHEMBL4716382 0.84 BDKRB1 (0.67) BDKRB1ACHEGSK3BRAB9AJAK2
SCHEMBL4713296 0.82 BDKRB1 (0.68) BDKRB1F10
SCHEMBL4714121 0.81 BDKRB1 (0.70) BDKRB1KMT2AF10
SCHEMBL784388 0.81 BDKRB1 (0.52) BDKRB1F10SLC2A1
SCHEMBL4713548 0.81 BDKRB1 (0.72) 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 6 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
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
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
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 BDKRB1 1/4885ACHE 2716/4885GSK3B 4572/4885

“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.