SCHEMBL784670

SCHEMBL784670

O=C(O)c1ccc2c(c1)C(NC(=O)c1cnccc1C(F)(F)F)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RBP4 P02753 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL784669 1.00 WDR5 (0.47) WDR5POLBNPC1RBP4ALDH1A1
SCHEMBL803174 0.89 NPC1 (0.43) WDR5POLBNPC1RBP4ALDH1A1
SCHEMBL2817523 0.89 NPC1 (0.43) WDR5POLBNPC1RBP4ALDH1A1
SCHEMBL785669 0.85 WDR5 (0.47) WDR5ALDH1A1PDE4APDE4BPDE4C
SCHEMBL785745 0.85 WDR5 (0.47) WDR5ALDH1A1PDE4APDE4BPDE4C
SCHEMBL785733 0.80 WDR5 (0.40) WDR5POLBNPC1RBP4PDE10A
SCHEMBL784755 0.80 WDR5 (0.40) WDR5POLBNPC1RBP4PDE10A
SCHEMBL784302 0.80 BDKRB1 (0.43) WDR5
SCHEMBL785747 0.80 TAS1R3 (0.47) WDR5ALDH1A1PDE4APDE4BPDE4C
SCHEMBL785748 0.80 TAS1R3 (0.47) WDR5ALDH1A1PDE4APDE4BPDE4C

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 5 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 disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885POLB 4589/4885NPC1 1121/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885POLB 4589/4885NPC1 1121/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 WDR5 2611/4885POLB 3355/4885NPC1 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.