SCHEMBL4717629

SCHEMBL4717629

O=C1c2c(Cl)cccc2CN1c1cccc(-c2cnccc2OCC2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.49
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
IKBKB O14920 3/20 0.38
CHUK O15111 3/20 0.38
MELK Q14680 2/20 0.36
F10 P00742 7/20 0.36
CHRM1 P11229 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT3 P36888 1/20 0.35
HASPIN Q8TF76 1/20 0.35
BUB1 O43683 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL5630710 0.93 BDKRB1 (0.48) BDKRB1HTR2AHTR2CHTR2BF10
SCHEMBL4717502 0.89 IKBKB (0.46) BDKRB1HTR2AHTR2CHTR2BIKBKB
SCHEMBL5630595 0.89 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BIKBKB
SCHEMBL4712314 0.86 BDKRB1 (0.49) BDKRB1HTR2AHTR2CHTR2BF10
SCHEMBL4714914 0.82 HTR2C (0.43) BDKRB1HTR2AHTR2CHTR2BIKBKB
SCHEMBL4711860 0.80 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BF10
SCHEMBL5632155 0.80 BDKRB1 (0.48) BDKRB1HTR2AHTR2CHTR2BF10
SCHEMBL4716694 0.78 IKBKB (0.42) BDKRB1HTR2AHTR2CHTR2BIKBKB
SCHEMBL4712302 0.77 BDKRB1 (0.51) BDKRB1HTR2AHTR2CHTR2BF10
SCHEMBL4712921 0.73 BDKRB1 (0.52) BDKRB1HTR2AHTR2CHTR2B

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.