SCHEMBL6045865

SCHEMBL6045865

C[C@@H](NC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.60
SMN1; SMN2 Q16637 2/20 0.44
GPR139 Q6DWJ6 1/20 0.44
NTSR1 P30989 1/20 0.42
CNR1 P21554 1/20 0.42
USP36 Q9P275 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
PDE2A O00408 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14084803 0.94 BDKRB1 (0.68) BDKRB1SMN1; SMN2GPR139ALDH1A1HPGD
SCHEMBL14084789 0.94 BDKRB1 (0.68) BDKRB1SMN1; SMN2GPR139ALDH1A1HPGD
SCHEMBL14084864 0.93 BDKRB1 (0.59) BDKRB1SMN1; SMN2GPR139ALDH1A1F2
SCHEMBL6046120 0.93 BDKRB1 (0.59) BDKRB1SMN1; SMN2GPR139ALDH1A1F2
SCHEMBL6046051 0.92 BDKRB1 (0.58) BDKRB1SMN1; SMN2GPR139F2MAPT
SCHEMBL6045959 0.90 BDKRB1 (0.56) BDKRB1SMN1; SMN2GPR139ALDH1A1PDE2A
SCHEMBL6046075 0.89 BDKRB1 (0.55) BDKRB1SMN1; SMN2GPR139ALDH1A1F2
SCHEMBL4703245 0.86 BDKRB1 (0.54) BDKRB1SMN1; SMN2GPR139CCNA2CDK2
SCHEMBL6045952 0.84 BDKRB1 (0.50) BDKRB1SMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL6045852 0.84 BDKRB1 (0.50) BDKRB1SMN1; SMN2ALDH1A1CCNA2CDK2

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 1/4885SMN1; SMN2 3662/4885GPR139 104/4885

“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.