SCHEMBL784852

SCHEMBL784852

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3sccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
WDR5 P61964 11/20 0.38
CTSS P25774 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CHRM4 P08173 1/20 0.36
CNR1 P21554 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
AURKA O14965 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
SCHEMBL785753 0.90 F10 (0.38) F10WDR5CTSSTAS1R3TAS1R1
SCHEMBL784152 0.87 CTSS (0.38) F10WDR5CTSSAURKA
SCHEMBL785605 0.87 ALDH1A1 (0.43) F10WDR5CTSSTLR9TLR8
SCHEMBL784425 0.86 F10 (0.40) F10TLR9TLR8TLR7
SCHEMBL784935 0.86 F10 (0.43) F10WDR5CTSSTLR9TLR8
SCHEMBL784022 0.86 TLR9 (0.42) F10WDR5CTSSTLR9TLR8
SCHEMBL785314 0.85 CTSS (0.44) F10CTSSCNR1TAS1R3TAS1R1
SCHEMBL784851 0.85 F10 (0.40) F10WDR5
SCHEMBL785213 0.85 WDR5 (0.41) F10WDR5CTSSTLR9TLR8
SCHEMBL784193 0.85 WDR5 (0.41) F10WDR5CTSSTLR9TLR8

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 F10 524/4885WDR5 2611/4885CTSS 824/4885

“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.