SCHEMBL783606

SCHEMBL783606

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
F10 P00742 1/20 0.39
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
MRGPRX2 Q96LB1 3/20 0.36
DRD2 P14416 1/20 0.35
WDR5 P61964 4/20 0.34
CTSS P25774 1/20 0.34
NPY5R Q15761 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL784804 0.91 F10 (0.41) TLR9TLR8TLR7F10JAK2
SCHEMBL785285 0.90 TAF1 (0.41) TLR9TLR8TLR7JAK2JAK1
SCHEMBL784956 0.89 CCR5 (0.39) TLR9TLR8TLR7F10JAK2
SCHEMBL784473 0.89 DRD2 (0.42) TLR9TLR8TLR7F10JAK2
SCHEMBL785736 0.89 CCR5 (0.39) TLR9TLR8TLR7F10JAK2
SCHEMBL784022 0.89 TLR9 (0.42) TLR9TLR8TLR7F10JAK2
SCHEMBL785386 0.88 KCNQ2 (0.39) TLR9TLR8TLR7F10JAK2
SCHEMBL784170 0.88 HCRTR1 (0.40) TLR9TLR8TLR7F10JAK2
SCHEMBL785264 0.86 TLR9 (0.41) TLR9TLR8TLR7F10DRD2
SCHEMBL784376 0.86 F10 (0.39) TLR9TLR8TLR7F10DRD2

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 6 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
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.