SCHEMBL784303

SCHEMBL784303

CCN(C(=O)c1ccc2c(c1)C(NC(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.39
RBP4 P02753 1/20 0.36
PDE10A Q9Y233 3/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SLC2A1 P11166 1/20 0.35
CTSS P25774 1/20 0.34
F10 P00742 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
AURKA O14965 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 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
SCHEMBL784755 0.90 WDR5 (0.40) WDR5RBP4PDE10ANPC1POLB
SCHEMBL785733 0.90 WDR5 (0.40) WDR5RBP4PDE10ANPC1POLB
SCHEMBL784684 0.86 CTSS (0.39) WDR5POLBCTSSF10HTR1A
SCHEMBL785316 0.86 CTSS (0.42) WDR5RBP4NPC1POLBSLC2A1
SCHEMBL784268 0.85 TAS1R3 (0.42) CTSSRIPK1ALDH1A1
SCHEMBL785130 0.84 RBP4 (0.37) WDR5RBP4PDE10ANPC1POLB
SCHEMBL784302 0.83 BDKRB1 (0.43) WDR5F10
SCHEMBL785216 0.83 WDR5 (0.42) WDR5RBP4PDE10ANPC1POLB
SCHEMBL785552 0.82 WDR5 (0.40) WDR5RBP4PDE10ASLC2A1CTSS
SCHEMBL27902569 0.82 WDR5 (0.40) WDR5RBP4PDE10ASLC2A1CTSS

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 2611/4885RBP4 1548/4885PDE10A 589/4885

“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.