SCHEMBL2820770

SCHEMBL2820770

COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1C)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
PDE10A Q9Y233 3/20 0.44
TRPV1 Q8NER1 2/20 0.44
WDR5 P61964 6/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
DHODH Q02127 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
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
SCHEMBL2820769 1.00 TAOK1 (0.45) TAOK1TAOK3PDE10ATRPV1WDR5
SCHEMBL13190010 0.94 PDE10A (0.43) TAOK1TAOK3PDE10ATRPV1WDR5
SCHEMBL2819216 0.92 WDR5 (0.46) TAOK1TAOK3PDE10ATRPV1WDR5
SCHEMBL2819212 0.92 WDR5 (0.46) TAOK1TAOK3PDE10ATRPV1WDR5
SCHEMBL2821723 0.90 PDE10A (0.51) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL2821726 0.90 PDE10A (0.51) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL13190100 0.85 WDR5 (0.46) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL484111 0.83 PDE4A (0.52) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL484112 0.83 PDE4A (0.52) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2819996 0.81 PDE10A (0.51) PDE10AWDR5PDE4APDE4BPDE4C

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 9 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 TAOK1 1352/4885TAOK3 1405/4885PDE10A 1400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TAOK1 1352/4885TAOK3 1405/4885PDE10A 1400/4885

“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.