SCHEMBL5388713

SCHEMBL5388713

CN(CCCC(=O)N(CCc1ccc(C#N)cc1)CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.40
NR1H2 P55055 2/20 0.33
HSD11B1 P28845 2/20 0.33
RORC P51449 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NR1I2 O75469 1/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL5385479 0.90 BDKRB1 (0.41) BDKRB1MCOLN3CA12CA1CA2
SCHEMBL5383630 0.90 BDKRB1 (0.41) BDKRB1MCOLN3CA12CA1CA2
SCHEMBL5390403 0.90 BDKRB1 (0.41) BDKRB1MCOLN3CA12CA1CA2
SCHEMBL5385755 0.87 BDKRB1 (0.45) BDKRB1MCOLN3CNR1CNR2
SCHEMBL5393047 0.85 BDKRB1 (0.41) BDKRB1HSD11B1MCOLN3NR1H4CNR1
SCHEMBL5388709 0.84 MCHR1 (0.32) NR1H2RORCPSEN1PSEN2APH1B
SCHEMBL5396941 0.84 BDKRB1 (0.60) BDKRB1
SCHEMBL5393895 0.83 MCOLN3 (0.43) BDKRB1MCOLN3CNR1CNR2
SCHEMBL5392217 0.83 BDKRB1 (0.42) BDKRB1SLC6A2SLC6A4SLC6A3CCR3
SCHEMBL5402470 0.82 BDKRB1 (0.43) BDKRB1MCOLN3NR1H4CNR1CNR2

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 1/4885NR1H2 1771/4885HSD11B1 2343/4885

“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.