SCHEMBL4717437

SCHEMBL4717437

O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCN(CCn2ccnc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.60
LMNA P02545 1/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CYP17A1 P05093 3/20 0.41
CYP21A2 P08686 3/20 0.41
CYP11B1 P15538 3/20 0.41
BRD4 O60885 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
JAK1 P23458 1/20 0.38
SYK P43405 1/20 0.37
LSS P48449 1/20 0.37
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4714797 0.89 BDKRB1 (0.58) BDKRB1LMNAHTR2AHTR2CHTR2B
SCHEMBL4712656 0.83 BDKRB1 (0.59) BDKRB1HTR2AHTR2CHTR2BDRD2
SCHEMBL4713885 0.81 BDKRB1 (0.57) BDKRB1LMNAHTR2AHTR2CHTR2B
SCHEMBL4715714 0.81 BDKRB1 (0.57) BDKRB1LMNAHTR2AHTR2CHTR2B
SCHEMBL4714259 0.80 BDKRB1 (0.60) BDKRB1LMNAKDM4EMEN1KMT2A
SCHEMBL4759441 0.80 BDKRB1 (0.84) BDKRB1LMNAKDM4EMEN1KMT2A
SCHEMBL4716223 0.78 BDKRB1 (0.67) BDKRB1LMNAKDM4EMEN1KMT2A
SCHEMBL4717372 0.78 BDKRB1 (0.56) BDKRB1HTR2AHTR2CHTR2B
SCHEMBL4716862 0.78 BDKRB1 (0.64) BDKRB1LMNAHTR2AHTR2CHTR2B
SCHEMBL4760693 0.78 BDKRB1 (0.66) BDKRB1LMNAHTR2AHTR2CHTR2B

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 1/4885LMNA 1762/4885HTR2A 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.