SCHEMBL5402470

SCHEMBL5402470

CN(CCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.43
MCOLN3 Q8TDD5 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CDK8 P49336 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
FFAR1 O14842 2/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP19A1 P11511 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL5396899 0.94 BDKRB1 (0.44) BDKRB1MCOLN3CNR1CNR2CDK8
SCHEMBL5385755 0.92 BDKRB1 (0.45) BDKRB1MCOLN3CNR1CNR2CDK8
SCHEMBL5393673 0.85 BDKRB1 (0.43) BDKRB1MCOLN3CNR1CNR2KMT2A
SCHEMBL5377297 0.85 GAA (0.41) BDKRB1CNR1CNR2
SCHEMBL5393047 0.84 BDKRB1 (0.41) BDKRB1MCOLN3CNR1CNR2KMT2A
SCHEMBL5383630 0.84 BDKRB1 (0.41) BDKRB1MCOLN3CNR1CNR2TSHR
SCHEMBL5402475 0.83 CNR1 (0.35) BDKRB1CNR1CNR2CDK8CLK4
SCHEMBL5390403 0.83 BDKRB1 (0.41) BDKRB1MCOLN3CNR1CNR2TSHR
SCHEMBL5384357 0.83 BDKRB1 (0.40) BDKRB1CNR1KMT2A
SCHEMBL5385479 0.83 BDKRB1 (0.41) BDKRB1MCOLN3CNR1CNR2TSHR

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 1/4885MCOLN3 1853/4885CNR1 69/4885

“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.