SCHEMBL5384358

SCHEMBL5384358

CN(CCc1ccc(C#N)cc1)C(=O)CCN(C)S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.40
HTT P42858 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
LTB4R Q15722 5/20 0.37
LTB4R2 Q9NPC1 5/20 0.37
CDK8 P49336 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR2 O43614 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL5377586 0.88 ALDH1A1 (0.48) BDKRB1HTTCDK8CLK4SMN1; SMN2
SCHEMBL5385755 0.86 BDKRB1 (0.45) BDKRB1PTGDR2LTB4RLTB4R2CDK8
SCHEMBL5390477 0.85 BDKRB1 (0.38) BDKRB1LTB4RLTB4R2CDK8CLK4
SCHEMBL5396899 0.84 BDKRB1 (0.44) BDKRB1PTGDR2CDK8CLK4TSHR
SCHEMBL5393673 0.82 BDKRB1 (0.43) BDKRB1PTGDR2LTB4RLTB4R2TSHR
SCHEMBL5402470 0.82 BDKRB1 (0.43) BDKRB1PTGDR2CDK8CLK4TSHR
SCHEMBL5385870 0.81 RAB9A (0.46) HTTLTB4RLTB4R2CDK8CLK4
SCHEMBL5402491 0.81 ALDH1A1 (0.49) HTTTSHR
SCHEMBL5385080 0.80 BDKRB1 (0.65) BDKRB1
SCHEMBL5388679 0.79 FNTA (0.39) BDKRB1LTB4RLTB4R2TAS2R14TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 BDKRB1 1/4885HTT 3739/4885PTGDR2 160/4885

“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.