SCHEMBL6045967

SCHEMBL6045967

NCCC1CCNc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
IDO1 P14902 1/20 0.42
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CCKBR P32239 2/20 0.33
F12 P00748 3/20 0.33
KDM1A O60341 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL3693863 0.86 BCHE (0.44) BCHEIDO1HTR2AHRH1CCKBR
SCHEMBL6045958 0.83 BCHE (0.48) BCHECCKBRF12
SCHEMBL4818848 0.83 BCHE (0.48) BCHECCKBRF12
SCHEMBL20570921 0.83 BCHE (0.57) BCHECCKBRF12
SCHEMBL29558888 0.82 IDO1 (0.45) IDO1HTR2AHRH1PRKACAPRKACG
SCHEMBL11473137 0.82 IDO1 (0.45) IDO1HTR2AHRH1PRKACAPRKACG
SCHEMBL27403754 0.80 BCHE (0.65) BCHEF12
SCHEMBL5536672 0.80 BCHE (0.52) BCHECCKBR
SCHEMBL7692638 0.79 BCHE (0.64) BCHEF12
SCHEMBL10841290 0.79 BCHE (0.44) BCHECCKBRF12KDM1ASLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US 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-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 BCHE 1045/4885IDO1 1195/4885HTR2A 1442/4885

“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.