SCHEMBL4714914

SCHEMBL4714914

O=C1c2c(Cl)cccc2CN1c1cccc(-c2cnccc2OCCC2CCNCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.43
HTR2B P41595 8/20 0.43
HTR2A P28223 7/20 0.43
PIM1 P11309 1/20 0.41
BDKRB1 P46663 1/20 0.38
PARP1 P09874 2/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
MELK Q14680 2/20 0.36
ROCK2 O75116 1/20 0.34
DRD2 P14416 1/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4717502 0.92 IKBKB (0.46) HTR2CHTR2BHTR2APIM1BDKRB1
SCHEMBL5630710 0.89 BDKRB1 (0.48) HTR2CHTR2BHTR2ABDKRB1
SCHEMBL4716694 0.86 IKBKB (0.42) HTR2CHTR2BHTR2APIM1BDKRB1
SCHEMBL4716498 0.84 AKT1 (0.41) HTR2CHTR2BHTR2ABDKRB1PARP1
SCHEMBL4717629 0.82 BDKRB1 (0.49) HTR2CHTR2BHTR2ABDKRB1IKBKB
SCHEMBL4717297 0.78 PARP1 (0.40) HTR2CHTR2BHTR2ABDKRB1PARP1
SCHEMBL4714752 0.77 HTR2A (0.40) HTR2CHTR2BHTR2ABDKRB1PARP1
SCHEMBL5630595 0.76 BDKRB1 (0.51) HTR2CHTR2BHTR2ABDKRB1IKBKB
SCHEMBL5632155 0.75 BDKRB1 (0.48) HTR2CHTR2BHTR2ABDKRB1
SCHEMBL4711961 0.72 HTR6 (0.44) HTR2CHTR2BHTR2ABDKRB1PARP1

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 HTR2C 1740/4885HTR2B 175/4885HTR2A 742/4885

“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.