SCHEMBL2817536

SCHEMBL2817536

COC(=O)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.49
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.39
MTNR1A P48039 1/20 0.39
DHODH Q02127 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL484960 1.00 KCNA5 (0.49) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL484959 1.00 KCNA5 (0.49) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL484664 0.94 PDE4A (0.51) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL2816502 0.93 CYP1A2 (0.51) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL2818247 0.93 CYP1A2 (0.51) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL485658 0.86 PDE4A (0.50) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL2818453 0.82 PDE4A (0.53) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL2818455 0.82 PDE4A (0.53) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL2818100 0.79 CYP3A4 (0.54) ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL2816618 0.79 CYP3A4 (0.54) ALDH1A1CYP1A2CYP2C9TSHR

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 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.