SCHEMBL6045828

SCHEMBL6045828

O=C(Nc1[nH]nc(C(=O)NCCN2CCCC2)c1Br)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.49
HTT P42858 1/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
WNT1 P04628 2/20 0.44
DYRK1A Q13627 2/20 0.44
PLD2 O14939 1/20 0.43
PLD1 Q13393 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6046028 0.99 BDKRB1 (0.48) BDKRB1HTTHTR1ADRD2HTR2A
SCHEMBL6046172 0.93 BDKRB1 (0.54) BDKRB1HTTHTR1ADRD2HTR2A
SCHEMBL14108180 0.93 DRD2 (0.52) BDKRB1HTR1ADRD2HTR2A
SCHEMBL6046007 0.92 BDKRB1 (0.47) BDKRB1
SCHEMBL6046003 0.92 HTT (0.56) BDKRB1HTTSMN1; SMN2
SCHEMBL6045893 0.91 BDKRB1 (0.52) BDKRB1HTTPLD2PLD1
SCHEMBL6045916 0.90 BDKRB1 (0.51) BDKRB1HTTPLD2PLD1SMN1; SMN2
SCHEMBL6045882 0.88 BDKRB1 (0.57) BDKRB1DRD2
SCHEMBL4705843 0.87 BDKRB1 (0.44) BDKRB1HTTPLD2PLD1SMN1; SMN2
SCHEMBL4703878 0.86 BDKRB1 (0.44) BDKRB1HTTSMN1; SMN2

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 4 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-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 1/4885HTT 4172/4885HTR1A 837/4885

“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.