SCHEMBL4716694

SCHEMBL4716694

O=C1c2c(Cl)cccc2CN1c1cccc(-c2cnccc2OC2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.42
CHUK O15111 6/20 0.42
ROCK1 Q13464 3/20 0.41
LCK P06239 2/20 0.41
BDKRB1 P46663 1/20 0.41
PARP1 P09874 2/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HTR6 P50406 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
HRH1 P35367 1/20 0.36
MAPK14 Q16539 1/20 0.36
MELK Q14680 1/20 0.36
ATR Q13535 1/20 0.36
AKT1 P31749 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
SCHEMBL5630595 0.88 BDKRB1 (0.51) IKBKBCHUKBDKRB1HTR2AHTR2C
SCHEMBL4717502 0.87 IKBKB (0.46) IKBKBCHUKBDKRB1PARP1HTR2A
SCHEMBL4714914 0.86 HTR2C (0.43) IKBKBCHUKBDKRB1PARP1HTR2A
SCHEMBL4711961 0.82 HTR6 (0.44) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4717629 0.78 BDKRB1 (0.49) IKBKBCHUKBDKRB1HTR2AHTR2C
SCHEMBL5630710 0.77 BDKRB1 (0.48) BDKRB1HTR2AHTR2CHTR2B
SCHEMBL4716461 0.75 CYP11B2 (0.49) BDKRB1PARP1HTR2AHTR2CHTR2B
SCHEMBL4714752 0.73 HTR2A (0.40) IKBKBCHUKBDKRB1PARP1HTR2A
SCHEMBL4712302 0.73 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BCYP11B2
SCHEMBL4712854 0.72 PARP1 (0.40) BDKRB1PARP1HTR2AHTR2CHTR2B

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 IKBKB 686/4885CHUK 532/4885ROCK1 2800/4885

“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.