SCHEMBL20032721

SCHEMBL20032721

C=C(c1ccc2c(c1)n(CC)c(CNC(=O)c1nc(Cl)cnc1N)[n+]2CC)N(C)CCNC

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.73
SCNN1A P37088 1/20 0.73
SCNN1B P51168 1/20 0.73
SCNN1G P51170 1/20 0.73
HRH3 Q9Y5N1 1/20 0.73
PIK3CD O00329 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 2/20 0.31

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
SCHEMBL20032722 0.93 DRD5 (0.85) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538913 0.93 DRD5 (0.85) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538896 0.89 DRD5 (0.83) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348259 0.88 DRD5 (0.68) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538899 0.87 DRD5 (0.71) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348258 0.87 DRD5 (0.67) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348260 0.87 DRD5 (0.78) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538904 0.86 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538902 0.86 DRD5 (0.81) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348265 0.86 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3

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-20180186774-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2018-07-05 US disclosed
US-9938256-B2 Annelated benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-10 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-20180186774-A1 NOVEL ANNELATED BENZAMIDES HDAC10, HDAC11, H1-0 DRD5 608/4885SCNN1A 667/4885SCNN1B 1056/4885

“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.