SCHEMBL4716176

SCHEMBL4716176

O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC(Oc2ccncc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.66
HRH1 P35367 3/20 0.43
CCR3 P51677 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 2/20 0.42
EPHX2 P34913 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2J2 P51589 1/20 0.42
MGLL Q99685 3/20 0.41
EGFR P00533 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL4715507 0.92 BDKRB1 (0.57) BDKRB1HRH1CCR3EPHX2CYP2C9
SCHEMBL4716645 0.87 BDKRB1 (0.63) BDKRB1HTTNAMPTCYP2C9EGFR
SCHEMBL5629162 0.85 BDKRB1 (0.78) BDKRB1ALDH1A1NAMPTCYP2C9HTR2A
SCHEMBL4759441 0.83 BDKRB1 (0.84) BDKRB1ALDH1A1HTTNAMPTCYP2C9
SCHEMBL4716069 0.82 BDKRB1 (0.45) BDKRB1ALDH1A1HTTNAMPTEPHX2
SCHEMBL4717586 0.82 BDKRB1 (0.56) BDKRB1HRH1CCR3MGLLEGFR
SCHEMBL4716207 0.81 BDKRB1 (0.55) BDKRB1MGLLEGFRHTR2AHTR2C
SCHEMBL5630639 0.81 BDKRB1 (0.61) BDKRB1MGLLEGFRHTR2AHTR2C
SCHEMBL4717438 0.80 BDKRB1 (0.58) BDKRB1NAMPTMGLLEGFRHTR2A
SCHEMBL4714835 0.80 BDKRB1 (0.60) BDKRB1MGLLEGFRHTR2AHTR2C

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 1/4885HRH1 16/4885CCR3 1987/4885

“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.