SCHEMBL784376

SCHEMBL784376

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)CCC3CCCC3)CC4)CC2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
WDR5 P61964 6/20 0.36
POLB P06746 1/20 0.36
CTSS P25774 1/20 0.35
KMT2A Q03164 2/20 0.34
CNR2 P34972 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTAFR P25105 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
SCHEMBL784808 0.92 F10 (0.41) F10WDR5POLBCTSSKMT2A
SCHEMBL784473 0.90 DRD2 (0.42) F10TLR9TLR8TLR7WDR5
SCHEMBL785476 0.90 TAF1 (0.41) TLR9TLR8TLR7WDR5POLB
SCHEMBL784595 0.90 ALDH1A1 (0.38) F10POLBCTSSKMT2AACHE
SCHEMBL785221 0.89 ALDH1A1 (0.43) TLR9TLR8TLR7WDR5POLB
SCHEMBL785386 0.88 KCNQ2 (0.39) F10TLR9TLR8TLR7WDR5
SCHEMBL785822 0.88 POLB (0.36) WDR5POLBCTSSKMT2AACHE
SCHEMBL784022 0.86 TLR9 (0.42) F10TLR9TLR8TLR7WDR5
SCHEMBL784513 0.86 PRMT3 (0.38) F10WDR5POLBCTSSKMT2A
SCHEMBL784170 0.86 HCRTR1 (0.40) F10TLR9TLR8TLR7WDR5

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 F10 524/4885TLR9 1200/4885TLR8 1055/4885

“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.