SCHEMBL2820001

SCHEMBL2820001

COc1ccc(C(=O)NC2CCc3ccc(C(=O)O)cc32)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HPGDS O60760 1/20 0.50
WDR5 P61964 8/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 1/20 0.45
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL2819996 1.00 PDE10A (0.51) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2821723 0.91 PDE10A (0.51) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2821726 0.91 PDE10A (0.51) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2817248 0.89 TAS1R3 (0.53) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2817253 0.89 TAS1R3 (0.53) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2818317 0.88 WDR5 (0.51) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2819212 0.88 WDR5 (0.46) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2819216 0.88 WDR5 (0.46) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL13190100 0.87 WDR5 (0.46) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL484459 0.87 HPGDS (0.59) PDE10APDE4APDE4BPDE4CPDE4D

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 PDE10A 1400/4885PDE4A 1509/4885PDE4B 1892/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PDE10A 1400/4885PDE4A 1509/4885PDE4B 1892/4885

“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.