SCHEMBL6045979

SCHEMBL6045979

CN(C)CCN1CCCCC(NC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.45
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CALCRL Q16602 3/20 0.36
RAMP1 O60894 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
SRC P12931 2/20 0.35

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
SCHEMBL14084931 1.00 BDKRB1 (0.45) BDKRB1CCNA2CDK2CCNA1CALCRL
SCHEMBL14084917 0.91 BDKRB1 (0.47) BDKRB1CCNA2CDK2CCNA1MEN1
SCHEMBL6046004 0.91 BDKRB1 (0.47) BDKRB1CCNA2CDK2CCNA1MEN1
SCHEMBL14084893 0.90 BDKRB1 (0.48) BDKRB1CCNA2CDK2CCNA1CALCRL
SCHEMBL4705740 0.90 BDKRB1 (0.41) BDKRB1CCNA2CDK2CCNA1CALCRL
SCHEMBL6045900 0.88 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1CALCRL
SCHEMBL14084892 0.87 BDKRB1 (0.47) BDKRB1CCNA2CDK2CCNA1CALCRL
SCHEMBL14084921 0.87 BDKRB1 (0.47) BDKRB1CCNA2CDK2CCNA1CALCRL
SCHEMBL14084872 0.87 BDKRB1 (0.50) BDKRB1CCNA2CDK2CCNA1MEN1
SCHEMBL14084871 0.87 BDKRB1 (0.50) BDKRB1CCNA2CDK2CCNA1MEN1

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 2 patents. 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 claimed
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 BDKRB1 1/4885CCNA2 691/4885CDK2 350/4885

“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.