SCHEMBL784568

SCHEMBL784568

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.40
CTSS P25774 1/20 0.37
RBP4 P02753 1/20 0.35
PRMT3 O60678 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
RIPK1 Q13546 1/20 0.33
AURKA O14965 1/20 0.33
PDE10A Q9Y233 1/20 0.33
F10 P00742 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL785733 0.92 WDR5 (0.40) WDR5CTSSRBP4NPC1POLB
SCHEMBL784755 0.92 WDR5 (0.40) WDR5CTSSRBP4NPC1POLB
SCHEMBL785216 0.91 WDR5 (0.42) WDR5CTSSRBP4NPC1POLB
SCHEMBL785363 0.90 WDR5 (0.37) WDR5CTSSF10ROCK2
SCHEMBL785494 0.88 CRHR1 (0.40) WDR5CTSS
SCHEMBL784059 0.88 RORC (0.39) WDR5CTSSF10ROCK2
SCHEMBL785316 0.87 CTSS (0.42) WDR5CTSSRBP4TRPV1NPC1
SCHEMBL785215 0.87 CTSS (0.41) WDR5CTSSPRMT3SMYD3F10
SCHEMBL783987 0.87 WDR5 (0.40) WDR5CTSSPDE10AF10
SCHEMBL784402 0.87 CTSS (0.40) WDR5CTSSF10

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 2611/4885CTSS 824/4885RBP4 1548/4885

“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.