SCHEMBL6045958

SCHEMBL6045958

[NH]CCC1CCNc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
CCKBR P32239 2/20 0.33
F12 P00748 3/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4818848 0.83 BCHE (0.48) BCHECCKBRF12MEN1ALDH1A1
SCHEMBL6045967 0.83 BCHE (0.48) BCHECCKBRF12
SCHEMBL20570921 0.83 BCHE (0.57) BCHECCKBRF12
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) BCHECCKBRF12MEN1ALDH1A1
SCHEMBL3693863 0.79 BCHE (0.44) BCHECCKBRF12MEN1KMT2A
SCHEMBL6332268 0.79 BCHE (0.44) BCHECCKBRF12
SCHEMBL6648615 0.79 BCHE (0.50) BCHECCKBRF12

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 1045/4885CCKBR 36/4885F12 806/4885

“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.