SCHEMBL784928

SCHEMBL784928

CNC1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ACHE P22303 2/20 0.42
F10 P00742 1/20 0.41
JAK2 O60674 10/20 0.39
JAK1 P23458 10/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.36
CNR2 P34972 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL784022 0.91 TLR9 (0.42) TLR9TLR8TLR7F10JAK2
SCHEMBL785264 0.89 TLR9 (0.41) TLR9TLR8TLR7F10POLB
SCHEMBL784016 0.87 F10 (0.43) TLR9TLR8TLR7F10JAK2
SCHEMBL785091 0.87 ACHE (0.43) ACHEF10JAK2JAK1POLB
SCHEMBL785459 0.87 TSHR (0.41) TLR9TLR8TLR7ACHEF10
SCHEMBL784886 0.87 F10 (0.41) TLR9TLR8TLR7ACHEF10
SCHEMBL803662 0.87 TLR9 (0.39) TLR9TLR8TLR7F10JAK2
SCHEMBL784473 0.87 DRD2 (0.42) TLR9TLR8TLR7F10JAK2
SCHEMBL785591 0.86 F10 (0.44) TLR9TLR8TLR7ACHEF10
SCHEMBL785386 0.86 KCNQ2 (0.39) TLR9TLR8TLR7F10JAK2

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 3 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
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.