SCHEMBL2819086

SCHEMBL2819086

COc1cc(C)c(C(=O)N[C@@H]2CCc3ccc(C(=O)O)cc32)cc1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
WDR5 P61964 6/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
PDE10A Q9Y233 6/20 0.48
ROCK2 O75116 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SLC5A7 Q9GZV3 1/20 0.44

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
SCHEMBL2819091 1.00 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL2821910 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL2821906 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL2819996 0.85 PDE10A (0.51) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL2820001 0.85 PDE10A (0.51) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL485045 0.82 MEN1 (0.51) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL485043 0.82 MEN1 (0.51) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL2818317 0.81 WDR5 (0.51) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL2817253 0.79 TAS1R3 (0.53) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL2817248 0.79 TAS1R3 (0.53) PDE4APDE4BPDE4CPDE4DWDR5

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 10 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
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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 PDE4A 1509/4885PDE4B 1892/4885PDE4C 2205/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PDE4A 1509/4885PDE4B 1892/4885PDE4C 2205/4885

“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.