SCHEMBL4716645

SCHEMBL4716645

O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC(OCc2ccncc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.63
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 2/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 2/20 0.38
NAMPT P43490 1/20 0.38
GRM5 P41594 2/20 0.37
BCHE P06276 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
F10 P00742 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4716176 0.87 BDKRB1 (0.66) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL5629162 0.83 BDKRB1 (0.78) BDKRB1HTR2AHTR2CHTR2BKDM4E
SCHEMBL4759441 0.81 BDKRB1 (0.84) BDKRB1KDM4ELMNAMAPTHTT
SCHEMBL4715507 0.81 BDKRB1 (0.57) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4717586 0.80 BDKRB1 (0.56) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4717120 0.80 BDKRB1 (0.53) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4716207 0.79 BDKRB1 (0.55) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL5630639 0.79 BDKRB1 (0.61) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4714835 0.78 BDKRB1 (0.60) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL1712902 0.78 BDKRB1 (1.00) BDKRB1CYP1A2CYP3A4CYP2D6CYP2C9

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 1/4885HTR2A 742/4885HTR2C 1740/4885

“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.