SCHEMBL647683

SCHEMBL647683

CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1COS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
BTK Q06187 1/20 0.39
GAA P10253 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CTSK P43235 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM1A O60341 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 2/20 0.34
HDAC1 Q13547 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL5427832 1.00 EPHX1 (0.40) EPHX1BTKGAAMAOBMAOA
SCHEMBL4689755 1.00 EPHX1 (0.40) EPHX1BTKGAAMAOBMAOA
SCHEMBL30993106 0.97 BTK (0.42) EPHX1BTKGAAMAOBMAOA
SCHEMBL5437335 0.97 BTK (0.42) EPHX1BTKGAAMAOBMAOA
SCHEMBL6104225 0.97 BTK (0.42) EPHX1BTKGAAMAOBMAOA
SCHEMBL17970278 0.92 MAOB (0.39) EPHX1BTKGAAMAOBMAOA
SCHEMBL17956679 0.92 MAOB (0.39) EPHX1BTKGAAMAOBMAOA
SCHEMBL17956680 0.92 MAOB (0.39) EPHX1BTKGAAMAOBMAOA
SCHEMBL19177176 0.83 EPHX1 (0.43) EPHX1BTKGAAHDAC4HDAC6
SCHEMBL26266597 0.83 EPHX1 (0.43) EPHX1BTKGAAHDAC4HDAC6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-2285798-A1 MUSCARINIC RECEPTOR AGONITS USEFUL IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA AstraZeneca AB (SE) 2011-02-23 EP disclosed
EP-2257543-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 AstraZeneca AB (SE) 2010-12-08 EP disclosed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-2035411-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 EPHX1 1448/4885BTK 3836/4885GAA 2129/4885
US-20090076078-A1 New compounds 966 OPRM1, OPRL1, OPRK1 EPHX1 1797/4885BTK 1769/4885GAA 2307/4885

“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.