SCHEMBL4716232

SCHEMBL4716232

O=C(CN1CCN(C(=O)c2cccc(N3Cc4cccc(Cl)c4C3=O)c2)CC1)Nc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.56
ALDH1A1 P00352 6/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 1/20 0.41
GAA P10253 1/20 0.41
DDR1 Q08345 2/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL4711496 0.83 BDKRB1 (0.65) BDKRB1ALDH1A1POLBTSHRMEN1
SCHEMBL4714259 0.81 BDKRB1 (0.60) BDKRB1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4716223 0.81 BDKRB1 (0.67) BDKRB1ALDH1A1POLBMEN1KMT2A
SCHEMBL4715714 0.78 BDKRB1 (0.57) BDKRB1TSHRMEN1KMT2ATHRB
SCHEMBL4712656 0.78 BDKRB1 (0.59) BDKRB1ALDH1A1MEN1KMT2AHTT
SCHEMBL4714797 0.77 BDKRB1 (0.58) BDKRB1TSHRMEN1KMT2ATHRB
SCHEMBL5630506 0.77 BDKRB1 (0.61) BDKRB1ALDH1A1POLBTSHRMEN1
SCHEMBL4759441 0.77 BDKRB1 (0.84) BDKRB1ALDH1A1POLBTSHRMEN1
SCHEMBL4717372 0.77 BDKRB1 (0.56) BDKRB1ALDH1A1SMN1; SMN2GAANAMPT
SCHEMBL4717437 0.77 BDKRB1 (0.60) BDKRB1MEN1KMT2ATHRBLMNA

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 1/4885ALDH1A1 3073/4885POLB 3342/4885

“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.