SCHEMBL4716476

SCHEMBL4716476

O=C(O)c1cc(N2Cc3cccc(Cl)c3C2=O)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.41
BDKRB1 P46663 1/20 0.40
HCAR2 Q8TDS4 4/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
PARP1 P09874 2/20 0.35
PRKAB2 O43741 1/20 0.34

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
SCHEMBL4714109 0.74 GRM1 (0.39) GRM1BDKRB1HCAR2POLBKDM4E
SCHEMBL14587871 0.74 CCKBR (0.56) BDKRB1
SCHEMBL4716148 0.73 BDKRB1 (0.57) GRM1BDKRB1POLBKDM4EESR1
SCHEMBL4717332 0.72 KDM4E (0.51) GRM1BDKRB1POLBKDM4EESR1
SCHEMBL4716160 0.70 RORC (0.42) GRM1BDKRB1POLBKDM4EESR1
SCHEMBL6096596 0.68 GRM1 (0.40) GRM1BDKRB1POLBKDM4EESR1
SCHEMBL4716459 0.65 BDKRB1 (0.47) GRM1BDKRB1POLBKDM4EESR1
SCHEMBL19365965 0.65 GRM1 (0.47) GRM1BDKRB1POLBKDM4EESR1
SCHEMBL16563847 0.65 MEN1 (0.47) HCAR2POLBDAO
SCHEMBL10086367 0.65 TP53 (0.66) GRM1BDKRB1POLBKDM4EESR1

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
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
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 GRM1 735/4885BDKRB1 1/4885HCAR2 51/4885

“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.