SCHEMBL4714835

SCHEMBL4714835

O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.60
PARP1 P09874 2/20 0.48
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
MGLL Q99685 4/20 0.40
GRM1 Q13255 1/20 0.40
EGFR P00533 2/20 0.40
MBTD1 Q05BQ5 1/20 0.39

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
SCHEMBL5630639 0.91 BDKRB1 (0.61) BDKRB1PARP1L3MBTL3HTR2AHTR2C
SCHEMBL4717586 0.91 BDKRB1 (0.56) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL5628754 0.88 BDKRB1 (0.57) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4717120 0.87 BDKRB1 (0.53) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL5629162 0.86 BDKRB1 (0.78) BDKRB1L3MBTL3L3MBTL1HTR2AHTR2C
SCHEMBL4717373 0.86 BDKRB1 (0.53) BDKRB1PARP1L3MBTL3L3MBTL1HTR2A
SCHEMBL4717762 0.85 BDKRB1 (0.74) BDKRB1
SCHEMBL5630506 0.85 BDKRB1 (0.61) BDKRB1
SCHEMBL4711834 0.84 BDKRB1 (0.49) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4714572 0.83 BDKRB1 (0.59) BDKRB1L3MBTL3L3MBTL1MBTD1

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
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US 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
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 BDKRB1 1/4885PARP1 2256/4885L3MBTL3 1842/4885

“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.