SCHEMBL5377585

SCHEMBL5377585

CN(CCc1ccc(C#N)cc1)C(=O)CCNCS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CDK8 P49336 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GAA P10253 1/20 0.37
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.35
SNCA P37840 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LSS P48449 1/20 0.34
AKR1B1 P15121 1/20 0.34
EEF2K O00418 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL5385878 0.89 CDK8 (0.43) CDK8CLK4HTTNPSR1L3MBTL1
SCHEMBL5377586 0.83 ALDH1A1 (0.48) CNR1CDK8CLK4CNR2POLB
SCHEMBL5381895 0.82 BDKRB1 (0.49)
SCHEMBL5390482 0.81 CNR1 (0.33) CNR1CDK8CLK4GAACNR2
SCHEMBL5385750 0.80 CNR1 (0.35) CNR1CDK8CLK4CNR2POLB
SCHEMBL5242481 0.79 CDK8 (0.35) CNR1CDK8CLK4GAAPOLB
SCHEMBL5396907 0.78 CNR1 (0.36) CNR1CDK8CLK4GAACNR2
SCHEMBL5392271 0.78 BDKRB1 (0.47)
SCHEMBL5385437 0.77 BDKRB1 (0.51)
SCHEMBL5393811 0.77 LSS (0.39) CNR1GAAPOLBALDH1A1SMN1; SMN2

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 CNR1 69/4885CDK8 2720/4885CLK4 1924/4885

“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.