SCHEMBL784896

SCHEMBL784896

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N(C(=O)c3c(Cl)cc(F)c5ccccc35)C(C)C)CC4)CC2)nc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TAF1 P21675 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
USP30 Q70CQ3 1/20 0.31
SPR P35270 1/20 0.31
KCNH2 Q12809 1/20 0.31
RORC P51449 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
DRD2 P14416 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL785607 0.87 TAF1 (0.39) TLR9TLR8TLR7TAF1CECR2
SCHEMBL784412 0.86 TAF1 (0.37) TLR9TLR8TLR7TAF1CECR2
SCHEMBL785629 0.86 TAF1 (0.38) TLR9TLR8TLR7TAF1CECR2
SCHEMBL785120 0.86 TAF1 (0.38) TLR9TLR8TLR7TAF1CECR2
SCHEMBL784120 0.84 TAF1 (0.40) TLR9TLR8TLR7TAF1CECR2
SCHEMBL785700 0.82 TAF1 (0.39) TLR9TLR8TLR7TAF1CECR2
SCHEMBL785004 0.80 GBA1 (0.41) TLR9TLR8TLR7TAF1CECR2
SCHEMBL785207 0.80 TAF1 (0.43) TLR9TLR8TLR7TAF1CECR2
SCHEMBL784869 0.80 TAF1 (0.37) TLR9TLR8TLR7TAF1CECR2
SCHEMBL784535 0.79 TAF1 (0.41) TLR9TLR8TLR7TAF1CECR2

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 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.