SCHEMBL5383489

SCHEMBL5383489

CN(CCN(CCCCl)C(=O)NCCc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
BDKRB1 P46663 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
ABCB1 P08183 1/20 0.34
HPGD P15428 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CNR2 P34972 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
LMNA P02545 2/20 0.33
LSS P48449 1/20 0.33
SIGMAR1 Q99720 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
RAB9A P51151 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL5384357 0.83 BDKRB1 (0.40) CNR1BDKRB1POLBMAPTABCB1
SCHEMBL5377297 0.80 GAA (0.41) CNR1BDKRB1POLBHPGDCNR2
SCHEMBL5396899 0.77 BDKRB1 (0.44) CNR1BDKRB1CNR2PTGDR2MCOLN3
SCHEMBL5402470 0.76 BDKRB1 (0.43) CNR1BDKRB1CNR2PTGDR2MCOLN3
SCHEMBL5385755 0.76 BDKRB1 (0.45) CNR1BDKRB1CNR2PTGDR2MCOLN3
SCHEMBL5383630 0.76 BDKRB1 (0.41) CNR1BDKRB1POLBCNR2LMNA
SCHEMBL5390403 0.75 BDKRB1 (0.41) CNR1BDKRB1CNR2CA12CA1
SCHEMBL5393673 0.74 BDKRB1 (0.43) CNR1BDKRB1POLBCNR2PTGDR2
SCHEMBL5385479 0.74 BDKRB1 (0.41) CNR1BDKRB1CNR2PTGDR2CA12
SCHEMBL5393047 0.74 BDKRB1 (0.41) CNR1BDKRB1CNR2PTGDR2MCOLN3

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 3 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-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 CNR1 69/4885BDKRB1 1/4885POLB 2561/4885

“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.