SCHEMBL14587782

SCHEMBL14587782

Brc1cncc(CN2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.53
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
ACHE P22303 2/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.44
GFER P55789 1/20 0.44
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
CHKA P35790 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
SCHEMBL7958587 0.82 POLB (0.56) DRD4DRD2DRD3ACHEPOLB
SCHEMBL17108787 0.78 SMN1; SMN2 (0.50) DRD4DRD2DRD3KDM4E
SCHEMBL1880665 0.78 SMN1; SMN2 (0.54) KDM4EGFER
SCHEMBL23501608 0.77 ALDH1A1 (0.46) DRD4DRD2DRD3POLBKDM4E
SCHEMBL29933818 0.77 MC4R (0.47) DRD4DRD2DRD3KDM4ECHKA
SCHEMBL29934142 0.77 ALDH1A1 (0.46) DRD4DRD2DRD3POLBKDM4E
SCHEMBL29934322 0.77 HRH3 (0.47) KDM4E
SCHEMBL112800 0.77 MC4R (0.47) DRD4DRD2DRD3KDM4ECHKA
SCHEMBL114033 0.77 HRH3 (0.47) KDM4E
SCHEMBL3603185 0.77 DRD4 (0.59) DRD4DRD2DRD3KDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 DRD4 3374/4885DRD2 1927/4885DRD3 2798/4885

“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.