SCHEMBL6045922

SCHEMBL6045922

C[C@H](CN(C)C)NC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.48
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 1/20 0.38
NTRK1 P04629 1/20 0.38
LMNA P02545 1/20 0.37
POLR1A O95602 1/20 0.37

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
SCHEMBL6045870 1.00 BDKRB1 (0.48) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL6045839 1.00 BDKRB1 (0.48) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL6045901 0.91 BDKRB1 (0.46) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL6046096 0.91 BDKRB1 (0.48) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL6045797 0.90 BDKRB1 (0.47) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL6045952 0.90 BDKRB1 (0.50) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL6045852 0.90 BDKRB1 (0.50) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL14084859 0.89 BDKRB1 (0.44) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL14084848 0.88 BDKRB1 (0.53) BDKRB1HPGDKMT2ASMN1; SMN2F2
SCHEMBL4789942 0.87 BDKRB1 (0.45) BDKRB1HPGDKMT2ASMN1; SMN2F2

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-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-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 1/4885HPGD 797/4885KMT2A 2589/4885

“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.