SCHEMBL803662

SCHEMBL803662

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)OC(C)(C)C)CC4)CC2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
F10 P00742 1/20 0.37
USP30 Q70CQ3 1/20 0.37
WDR5 P61964 6/20 0.36
GPR119 Q8TDV5 2/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
PDK2 Q15119 1/20 0.35
CTSS P25774 1/20 0.35
DGAT1 O75907 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL785217 0.90 GPR119 (0.39) F10USP30GPR119JAK2JAK1
SCHEMBL785218 0.90 GPR119 (0.39) F10USP30GPR119JAK2JAK1
SCHEMBL784022 0.89 TLR9 (0.42) TLR9TLR8TLR7F10WDR5
SCHEMBL785386 0.87 KCNQ2 (0.39) TLR9TLR8TLR7F10WDR5
SCHEMBL785264 0.87 TLR9 (0.41) TLR9TLR8TLR7F10WDR5
SCHEMBL784928 0.87 TLR9 (0.43) TLR9TLR8TLR7F10JAK2
SCHEMBL803496 0.86 GPR119 (0.37) F10USP30WDR5GPR119JAK2
SCHEMBL784170 0.86 HCRTR1 (0.40) TLR9TLR8TLR7F10WDR5
SCHEMBL803923 0.85 TLR9 (0.40) TLR9TLR8TLR7F10USP30
SCHEMBL803454 0.85 CTSS (0.41) F10USP30GPR119JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TLR9 1200/4885TLR8 1055/4885TLR7 1014/4885

“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.