SCHEMBL785819

SCHEMBL785819

Cc1ccc(NC(=O)N(C)C2CCc3ccc(C(=O)N(C)C4CCN(c5cc(C)nc(C)c5)CC4)cc32)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ABCC1 P33527 1/20 0.36
F10 P00742 2/20 0.36
NPY5R Q15761 1/20 0.33
RAB9A P51151 2/20 0.33
PDK2 Q15119 1/20 0.33
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
SPR P35270 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 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
SCHEMBL785474 0.88 NPC1 (0.46) TLR9TLR8TLR7F10NPY5R
SCHEMBL785958 0.87 F10 (0.38) TLR9TLR8TLR7F10RAB9A
SCHEMBL784619 0.86 F10 (0.43) TLR9TLR8TLR7F10NPY5R
SCHEMBL785369 0.85 F10 (0.38) TLR9TLR8TLR7F10NPY5R
SCHEMBL785323 0.85 F10 (0.38) TLR9TLR8TLR7F10JAK2
SCHEMBL785449 0.85 F10 (0.41) TLR9TLR8TLR7F10NPY5R
SCHEMBL784125 0.85 F10 (0.41) TLR9TLR8TLR7F10NPY5R
SCHEMBL785876 0.84 F10 (0.41) TLR9TLR8TLR7F10NPY5R
SCHEMBL784539 0.84 TLR9 (0.43) TLR9TLR8TLR7F10PDK2
SCHEMBL784621 0.83 UBE2M (0.37) TLR9TLR8TLR7F10PDK2

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 4 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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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.