SCHEMBL4713599

SCHEMBL4713599

O=C(NCCC1CCN(c2ccncc2)CC1)c1cccc(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
GSK3B P49841 1/20 0.59
CXCR3 P49682 1/20 0.55
BDKRB1 P46663 7/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
F10 P00742 3/20 0.51
SLC2A1 P11166 1/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4717773 0.90 BDKRB1 (0.56) ACHEGSK3BBDKRB1F10
SCHEMBL4761371 0.88 BDKRB1 (0.68) ACHEGSK3BBDKRB1F10
SCHEMBL4711922 0.88 BDKRB1 (0.60) ACHEGSK3BBDKRB1NPC1RAB9A
SCHEMBL5631292 0.86 CXCR3 (0.55) ACHEGSK3BCXCR3BDKRB1F10
SCHEMBL6045875 0.85 BDKRB1 (0.55) ACHEGSK3BCXCR3BDKRB1NPC1
SCHEMBL4713232 0.83 BDKRB1 (0.53) BDKRB1
SCHEMBL4712113 0.81 BDKRB1 (0.59) ACHEGSK3BCXCR3BDKRB1F10
SCHEMBL4716382 0.79 BDKRB1 (0.67) ACHEGSK3BBDKRB1RAB9ASMN1; SMN2
SCHEMBL6066754 0.78 F10 (0.62) F10
SCHEMBL4716746 0.78 F10 (0.56) 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 4 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
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 ACHE 2716/4885GSK3B 4572/4885CXCR3 775/4885

“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.