SCHEMBL5384357

SCHEMBL5384357

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
CNR1 P21554 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCB1 P08183 1/20 0.38
HPGD P15428 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PTGER1 P34995 1/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5377297 0.93 GAA (0.41) BDKRB1CNR1GRIN1GRIN2BPOLB
SCHEMBL5385755 0.85 BDKRB1 (0.45) BDKRB1CNR1
SCHEMBL5383489 0.83 CNR1 (0.37) BDKRB1CNR1POLBLMNAMAPT
SCHEMBL5402470 0.83 BDKRB1 (0.43) BDKRB1CNR1KMT2A
SCHEMBL5393047 0.83 BDKRB1 (0.41) BDKRB1CNR1KMT2AALDH1A1MEN1
SCHEMBL5383630 0.83 BDKRB1 (0.41) BDKRB1CNR1POLBLMNACA12
SCHEMBL4913323 0.83 BDKRB1 (0.61) BDKRB1
SCHEMBL5390403 0.82 BDKRB1 (0.41) BDKRB1CNR1HSD17B10CA12CA1
SCHEMBL5384364 0.81 CNR1 (0.41) CNR1GRIN1GRIN2BPOLBMAPT
SCHEMBL5393895 0.81 MCOLN3 (0.43) BDKRB1CNR1KMT2AMEN1HTT

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 1/4885CNR1 69/4885GRIN1 76/4885

“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.