SCHEMBL784755

SCHEMBL784755

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.40
RBP4 P02753 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36
CTSS P25774 1/20 0.36
SMO Q99835 1/20 0.36
PDE10A Q9Y233 2/20 0.35
AURKA O14965 1/20 0.35
RIPK1 Q13546 1/20 0.35
F10 P00742 2/20 0.34
MCHR1 Q99705 1/20 0.34
NPY5R Q15761 1/20 0.34
ROCK2 O75116 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
PDK2 Q15119 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
SCHEMBL785733 1.00 WDR5 (0.40) WDR5RBP4NPC1POLBSLC2A1
SCHEMBL785316 0.95 CTSS (0.42) WDR5RBP4NPC1POLBSLC2A1
SCHEMBL785130 0.94 RBP4 (0.37) WDR5RBP4NPC1POLBSLC2A1
SCHEMBL785216 0.93 WDR5 (0.42) WDR5RBP4NPC1POLBCTSS
SCHEMBL785552 0.92 WDR5 (0.40) WDR5RBP4SLC2A1CTSSSMO
SCHEMBL27902569 0.92 WDR5 (0.40) WDR5RBP4SLC2A1CTSSSMO
SCHEMBL784568 0.92 WDR5 (0.40) WDR5RBP4NPC1POLBCTSS
SCHEMBL784303 0.90 WDR5 (0.39) WDR5RBP4NPC1POLBSLC2A1
SCHEMBL784218 0.88 SLC6A9 (0.40) WDR5CTSSSMOAURKAF10
SCHEMBL784626 0.88 RBP4 (0.36) RBP4NPC1POLBSMORIPK1

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 1548/4885NPC1 2033/4885

“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.