SCHEMBL4716498

SCHEMBL4716498

O=C1c2c(Cl)cccc2CN1c1cccc(-c2cncc(OCCC3CCNCC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
PARP1 P09874 2/20 0.39
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
INPPL1 O15357 1/20 0.37
BDKRB1 P46663 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 1/20 0.35
DRD2 P14416 1/20 0.35
CHRNB1 P11230 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
TYRO3 Q06418 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 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
SCHEMBL4714752 0.92 HTR2A (0.40) AKT1HTR2AHTR2CHTR2BPARP1
SCHEMBL4716630 0.87 HTR2A (0.41) HTR2AHTR2CHTR2BPARP1ITGB3
SCHEMBL5632155 0.87 BDKRB1 (0.48) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4717297 0.86 PARP1 (0.40) HTR2AHTR2CHTR2BPARP1ITGB3
SCHEMBL4711961 0.85 HTR6 (0.44) HTR2AHTR2CHTR2BPARP1BDKRB1
SCHEMBL5628644 0.84 GPR119 (0.40) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4714914 0.84 HTR2C (0.43) HTR2AHTR2CHTR2BPARP1BDKRB1
SCHEMBL4712314 0.79 BDKRB1 (0.49) HTR2AHTR2CHTR2BBDKRB1CHRNB2
SCHEMBL4712854 0.77 PARP1 (0.40) HTR2AHTR2CHTR2BPARP1BDKRB1
SCHEMBL4712857 0.77 PARP1 (0.40) HTR2AHTR2CHTR2BPARP1BDKRB1

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 AKT1 3090/4885HTR2A 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.