SCHEMBL784022

SCHEMBL784022

CC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
F10 P00742 1/20 0.40
POLB P06746 1/20 0.39
WDR5 P61964 8/20 0.39
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
CTSS P25774 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
NPY5R Q15761 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL785264 0.92 TLR9 (0.41) TLR9TLR8TLR7F10POLB
SCHEMBL784928 0.91 TLR9 (0.43) TLR9TLR8TLR7F10POLB
SCHEMBL785459 0.89 TSHR (0.41) TLR9TLR8TLR7F10POLB
SCHEMBL803662 0.89 TLR9 (0.39) TLR9TLR8TLR7F10WDR5
SCHEMBL784473 0.89 DRD2 (0.42) TLR9TLR8TLR7F10WDR5
SCHEMBL785386 0.89 KCNQ2 (0.39) TLR9TLR8TLR7F10WDR5
SCHEMBL784170 0.89 HCRTR1 (0.40) TLR9TLR8TLR7F10WDR5
SCHEMBL783606 0.89 TLR9 (0.42) TLR9TLR8TLR7F10WDR5
SCHEMBL785852 0.89 CTSS (0.40) TLR9TLR8TLR7F10WDR5
SCHEMBL785204 0.89 TAS1R3 (0.43) TLR9TLR8TLR7F10WDR5

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 claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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.