SCHEMBL6045978

SCHEMBL6045978

Cn1nc(C(=O)NCCC2CCN(c3ccncc3)CC2)c(Br)c1NC(=O)c1ccccc1F

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.82
CHRM2 P08172 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6047131 0.90 BDKRB1 (1.00) BDKRB1
SCHEMBL14085030 0.90 BDKRB1 (0.83) BDKRB1CHRM2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6045984 0.83 BDKRB1 (0.68) BDKRB1CHRM2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6045826 0.83 BDKRB1 (0.58) BDKRB1CHRM2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6046043 0.83 BDKRB1 (0.60) BDKRB1CHRM2ALDH1A1SMN1; SMN2MAPT
SCHEMBL14084957 0.82 BDKRB1 (0.85) BDKRB1
SCHEMBL6045972 0.81 BDKRB1 (0.84) BDKRB1
SCHEMBL6045936 0.81 BDKRB1 (0.88) BDKRB1
SCHEMBL1722930 0.80 BDKRB1 (1.00) BDKRB1CHRM2
SCHEMBL4702546 0.79 BDKRB1 (0.65) BDKRB1CHRM2ALDH1A1SMN1; SMN2MAPT

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
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
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 1/4885CHRM2 749/4885ALDH1A1 2017/4885

“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.