SCHEMBL4716264

SCHEMBL4716264

O=C1c2c(Cl)cccc2CN1c1cccc(-c2cncc(C=C3CCN(c4ccncc4)CC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.51
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CYP11B1 P15538 6/20 0.33
CYP17A1 P05093 5/20 0.33
CYP21A2 P08686 5/20 0.33
EED O75530 1/20 0.32
PARP1 P09874 3/20 0.32
DHFR P00374 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRM1 Q13255 1/20 0.31
CHRM1 P11229 1/20 0.31
PRKCI P41743 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
SCHEMBL4716524 0.86 BDKRB1 (0.39) BDKRB1HTR2AHTR2CHTR2BCYP11B1
SCHEMBL4712921 0.80 BDKRB1 (0.52) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4712302 0.79 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BCYP11B2
SCHEMBL4711860 0.79 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4713457 0.79 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BCYP11B1
SCHEMBL4712314 0.77 BDKRB1 (0.49) BDKRB1HTR2AHTR2CHTR2BCYP11B2
SCHEMBL4716461 0.76 CYP11B2 (0.49) BDKRB1HTR2AHTR2CHTR2BCYP11B1
SCHEMBL5632155 0.76 BDKRB1 (0.48) BDKRB1HTR2AHTR2CHTR2B
SCHEMBL4712857 0.73 PARP1 (0.40) BDKRB1HTR2AHTR2CHTR2BCYP11B1
SCHEMBL4712854 0.73 PARP1 (0.40) BDKRB1HTR2AHTR2CHTR2BCYP11B1

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
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
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.