SCHEMBL2819216

SCHEMBL2819216

Cc1cc(OC(F)(F)F)ccc1C(=O)NC1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 11/20 0.46
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE10A Q9Y233 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
DHODH Q02127 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL2819212 1.00 WDR5 (0.46) WDR5TAOK1TAOK3PDE4APDE4B
SCHEMBL13190100 0.93 WDR5 (0.46) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL2820770 0.92 TAOK1 (0.45) WDR5TAOK1TAOK3PDE4APDE4B
SCHEMBL2820769 0.92 TAOK1 (0.45) WDR5TAOK1TAOK3PDE4APDE4B
SCHEMBL2819996 0.88 PDE10A (0.51) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL2820001 0.88 PDE10A (0.51) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL13190010 0.86 PDE10A (0.43) WDR5TAOK1TAOK3PDE4APDE4B
SCHEMBL2821726 0.81 PDE10A (0.51) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL2821723 0.81 PDE10A (0.51) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL485043 0.81 MEN1 (0.51) WDR5PDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 1762/4885TAOK1 1352/4885TAOK3 1405/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885TAOK1 1352/4885TAOK3 1405/4885

“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.