SCHEMBL20061847

SCHEMBL20061847

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)[n+](CC)c2ccc(OCC(=O)OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 15/20 0.52
DRD5 P21918 1/20 0.52
SCNN1B P51168 1/20 0.52
SCNN1G P51170 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
ACSS2 Q9NR19 1/20 0.39
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KCNH2 Q12809 2/20 0.34
GRM5 P41594 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
SCHEMBL17937122 0.93 SCNN1A (0.52) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635780 0.91 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2015067 0.90 SCNN1A (0.43) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL21335800 0.90 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL18539755 0.90 DRD5 (0.65) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL16882078 0.89 SCNN1A (0.52) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL17937084 0.89 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL17934216 0.87 SCNN1A (0.46) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL16882080 0.87 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL16882075 0.87 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X SCNN1A 312/4885DRD5 3765/4885SCNN1B 1095/4885

“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.