SCHEMBL4716396

SCHEMBL4716396

CC(C)N1CCN(C(=O)c2cccc(N3Cc4cccc(Cl)c4C3=O)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.61
CHRNA7 P36544 1/20 0.43
EGFR P00533 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
PARP1 P09874 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
GRM1 Q13255 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL4712523 0.91 BDKRB1 (0.72) BDKRB1EGFRNR1H4PARP1HRH3
SCHEMBL5628754 0.91 BDKRB1 (0.57) BDKRB1EGFRNR1H4PARP1HRH3
SCHEMBL4714381 0.91 BDKRB1 (0.55) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4716207 0.89 BDKRB1 (0.55) BDKRB1EGFRNR1H4PARP1HRH3
SCHEMBL4717373 0.86 BDKRB1 (0.53) BDKRB1EGFRNR1H4PARP1HTR2A
SCHEMBL4716862 0.85 BDKRB1 (0.64) BDKRB1EGFRPARP1HTR2AHTR2C
SCHEMBL4760693 0.85 BDKRB1 (0.66) BDKRB1EGFRPARP1HTR2AHTR2C
SCHEMBL4716342 0.83 BDKRB1 (0.77) BDKRB1EGFRPARP1HTR2AHTR2C
SCHEMBL5630639 0.83 BDKRB1 (0.61) BDKRB1EGFRPARP1HTR2AHTR2C
SCHEMBL4714598 0.82 BDKRB1 (0.58) BDKRB1HTR2AHTR2CHTR2BMEN1

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 1/4885CHRNA7 1047/4885EGFR 2482/4885

“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.