SCHEMBL4716459

SCHEMBL4716459

O=C1c2c(Cl)cccc2CN1c1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
PARP1 P09874 5/20 0.45
GRM1 Q13255 4/20 0.44
P2RX7 Q99572 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
POLB P06746 2/20 0.37

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
SCHEMBL4716148 0.80 BDKRB1 (0.57) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL30910320 0.78 NPC1 (0.68) HTR2CNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4716461 0.76 CYP11B2 (0.49) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4713821 0.76 ALDH1A1 (0.56) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL10085808 0.74 TP53 (0.54) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4717332 0.74 KDM4E (0.51) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL14587783 0.74 BDKRB1 (0.43) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4760693 0.73 BDKRB1 (0.66) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL13113408 0.73 HTR2C (0.48) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL13113414 0.73 HTR2C (0.48) BDKRB1HTR2AHTR2CHTR2BPARP1

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.