SCHEMBL4716174

SCHEMBL4716174

CN(C)CC1CC[N+](C(=O)c2cccc(N3Cc4cccc(Cl)c4C3=O)c2)(C2CCNCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.42
PARP1 P09874 6/20 0.41
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
GRM1 Q13255 4/20 0.36
NR1H4 Q96RI1 2/20 0.34
DRD2 P14416 1/20 0.32
MELK Q14680 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ESR1 P03372 1/20 0.31
NR4A1 P22736 1/20 0.31
APEX1 P27695 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL4715045 0.87 PARP1 (0.47) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL5629725 0.87 PARP1 (0.46) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4711834 0.79 BDKRB1 (0.49) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4716775 0.77 PARP1 (0.47) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4712254 0.76 BDKRB1 (0.53) BDKRB1HTR2AHTR2CHTR2BKMT2A
SCHEMBL4714835 0.74 BDKRB1 (0.60) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4717120 0.72 BDKRB1 (0.53) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4717586 0.71 BDKRB1 (0.56) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4716148 0.69 BDKRB1 (0.57) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL14619950 0.69 BDKRB1 (0.43) BDKRB1PARP1HTR2AHTR2CHTR2B

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 3 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
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 2256/4885HTR2A 742/4885

“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.