SCHEMBL784666

SCHEMBL784666

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccc(C(F)(F)F)c3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.41
P2RX7 Q99572 5/20 0.37
EPHX2 P34913 1/20 0.36
F10 P00742 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CTSS P25774 1/20 0.35
RBP4 P02753 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A9 P48067 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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
SCHEMBL27902573 0.93 WDR5 (0.43) WDR5EPHX2TLR9TLR8TLR7
SCHEMBL785213 0.91 WDR5 (0.41) WDR5P2RX7F10TLR9TLR8
SCHEMBL785428 0.91 WDR5 (0.40) WDR5P2RX7EPHX2RBP4ALDH1A1
SCHEMBL784218 0.91 SLC6A9 (0.40) WDR5P2RX7F10CTSSSLC6A9
SCHEMBL784894 0.90 RORC (0.41) WDR5EPHX2F10TLR9TLR8
SCHEMBL785605 0.88 ALDH1A1 (0.43) WDR5F10TLR9TLR8TLR7
SCHEMBL785363 0.88 WDR5 (0.37) WDR5P2RX7F10CTSSSLC6A9
SCHEMBL784902 0.86 CTSS (0.41) WDR5CTSSALDH1A1SLC6A9TAS1R3
SCHEMBL785216 0.86 WDR5 (0.42) WDR5EPHX2F10TLR9TLR8
SCHEMBL784193 0.85 WDR5 (0.41) 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 2611/4885P2RX7 140/4885EPHX2 1475/4885

“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.