SCHEMBL5432803

SCHEMBL5432803

NC(CCc1ccccc1)C(=O)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 9/20 0.69
NPC1 O15118 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.52
MMP13 P45452 1/20 0.52
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
HDAC8 Q9BY41 2/20 0.49

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
SCHEMBL8077871 0.84 HDAC8 (0.68) DPP7HPGDTSHRGAAHDAC8
SCHEMBL1039399 0.84 HDAC8 (0.68) DPP7HPGDTSHRGAAHDAC8
SCHEMBL1337304 0.83 HPGD (0.56) DPP7NPC1HPGDGAAHRH2
SCHEMBL1619160 0.83 HDAC8 (0.69) DPP7HPGDTSHRGAAHDAC8
SCHEMBL368452 0.83 HDAC8 (0.69) DPP7HPGDTSHRGAAHDAC8
SCHEMBL1040335 0.83 HDAC8 (0.69) DPP7HPGDTSHRGAAHDAC8
SCHEMBL21408995 0.82 DPP7 (0.49) DPP7HRH2HRH1
SCHEMBL18888869 0.81 MEN1 (0.54) DPP7NPC1TSHRHRH2HRH1
SCHEMBL6824539 0.79 DPP7 (0.61) DPP7HPGDTSHRGAAHDAC8
SCHEMBL4952073 0.79 HDAC8 (0.74) DPP7NPC1HDAC8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US claimed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
EP-1633349-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 US disclosed
WO-2004098590-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO 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 (2 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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 DPP7 1823/4885NPC1 1217/4885TDP1 3017/4885
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 DPP7 3440/4885NPC1 1202/4885TDP1 3829/4885

“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.