SCHEMBL4716461

SCHEMBL4716461

O=C1c2c(Cl)cccc2CN1c1cccc(-c2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.49
CYP11B1 P15538 8/20 0.49
BDKRB1 P46663 1/20 0.48
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 3/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
MEN1 O00255 1/20 0.40
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
DHFR P00374 1/20 0.40
PARP1 P09874 1/20 0.40
GRM1 Q13255 1/20 0.39
MAP3K5 Q99683 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4712921 0.77 BDKRB1 (0.52) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4716524 0.77 BDKRB1 (0.39) CYP11B2CYP11B1BDKRB1HTR2AHTR2C
SCHEMBL4716264 0.76 BDKRB1 (0.51) CYP11B2CYP11B1BDKRB1HTR2AHTR2C
SCHEMBL4711961 0.76 HTR6 (0.44) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4713457 0.76 BDKRB1 (0.51) CYP11B2CYP11B1BDKRB1HTR2AHTR2C
SCHEMBL4712302 0.76 BDKRB1 (0.51) CYP11B2BDKRB1HTR2AHTR2CHTR2B
SCHEMBL4711860 0.76 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4716459 0.76 BDKRB1 (0.47) BDKRB1HTR2AHTR2CHTR2BMAPT
SCHEMBL4712857 0.75 PARP1 (0.40) CYP11B2CYP11B1BDKRB1HTR2AHTR2C
SCHEMBL4712854 0.75 PARP1 (0.40) CYP11B2CYP11B1BDKRB1HTR2AHTR2C

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 5 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
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 CYP11B2 1377/4885CYP11B1 959/4885BDKRB1 1/4885

“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.