SCHEMBL484507

SCHEMBL484507

COC(=O)c1ccc2c(c1)C(NS(=O)(=O)c1cccc(Cl)c1Cl)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
SLC6A3 Q01959 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CCR4 P51679 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL484509 1.00 KCNA5 (0.44) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL803565 0.92 TAS1R3 (0.44) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL2820965 0.92 TAS1R3 (0.44) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL15226408 0.89 KCNA5 (0.47) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL13131208 0.89 KCNA5 (0.47) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL484940 0.89 CYP1A2 (0.46) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL484462 0.89 CYP1A2 (0.46) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL2818481 0.86 HTT (0.51) KCNA5TAS1R3TAS1R1HTTKMT2A
SCHEMBL2818483 0.86 HTT (0.51) KCNA5TAS1R3TAS1R1HTTKMT2A
SCHEMBL785751 0.85 PDE4A (0.47) KCNA5PDE4APDE4BPDE4CPDE4D

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-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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP 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 KCNA5 237/4885PDE4A 1509/4885PDE4B 1892/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KCNA5 237/4885PDE4A 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.