SCHEMBL784193

SCHEMBL784193

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cc(F)ccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 9/20 0.41
F10 P00742 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CNR1 P21554 1/20 0.36
CTSS P25774 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
SPR P35270 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
SCHEMBL784935 0.93 F10 (0.43) WDR5F10TLR9TLR8TLR7
SCHEMBL785605 0.91 ALDH1A1 (0.43) WDR5F10TLR9TLR8TLR7
SCHEMBL784824 0.90 WDR5 (0.40) WDR5TLR9TLR8TLR7PDE10A
SCHEMBL784904 0.90 F10 (0.40) WDR5F10PDE10ACTSSHTR1A
SCHEMBL785213 0.88 WDR5 (0.41) WDR5F10TLR9TLR8TLR7
SCHEMBL783987 0.87 WDR5 (0.40) WDR5F10PDE10ACTSS
SCHEMBL784364 0.87 F10 (0.39) F10TLR9TLR8TLR7KCNH2
SCHEMBL784390 0.85 CTSS (0.42) WDR5F10CTSS
SCHEMBL784852 0.85 F10 (0.38) WDR5F10TLR9TLR8TLR7
SCHEMBL784022 0.85 TLR9 (0.42) WDR5F10TLR9TLR8TLR7

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 WDR5 2611/4885F10 524/4885TLR9 1200/4885

“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.