SCHEMBL796833

SCHEMBL796833

O=C(O)N1CC[C@H](Oc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
SRD5A1 P18405 1/20 0.50
SCD5 Q86SK9 1/20 0.50
RIPK1 Q13546 1/20 0.49
USP30 Q70CQ3 5/20 0.49
FFAR4 Q5NUL3 3/20 0.48
CHRM2 P08172 3/20 0.47
CHRM3 P20309 3/20 0.47
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2J2 P51589 1/20 0.46

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
SCHEMBL2532124 1.00 EPHX2 (0.53) EPHX2SRD5A1SCD5RIPK1USP30
SCHEMBL796858 1.00 EPHX2 (0.53) EPHX2SRD5A1SCD5RIPK1USP30
SCHEMBL5271411 0.90 EPHX2 (0.59) EPHX2SRD5A1SCD5CYP2C9CYP2J2
SCHEMBL594896 0.87 SRD5A1 (0.45) EPHX2SRD5A1USP30
SCHEMBL6123598 0.87 EPHX2 (0.51) EPHX2SRD5A1SCD5RIPK1USP30
SCHEMBL10606119 0.87 EPHX2 (0.54) EPHX2SRD5A1SCD5RIPK1USP30
SCHEMBL594897 0.87 SRD5A1 (0.45) EPHX2SRD5A1USP30
SCHEMBL12442639 0.86 NAMPT (0.57) EPHX2SRD5A1SCD5RIPK1
SCHEMBL29067466 0.86 POLB (0.47) EPHX2SRD5A1GAACYP2C9
SCHEMBL29132289 0.86 EPHX2 (0.54) EPHX2CYP2C9CYP2J2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
US-8486992-B2 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED (GB) 2013-07-16 US disclosed
US-8268881-B2 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED (GB) 2012-09-18 US disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20110251164-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists GLOSSOP PAUL ALAN 2011-10-13 US disclosed
US-7772223-B2 5-Methyl-5-(3-phenoxyazetidin-1-yl)-2,2-diphenylhexanamide, used for the treatment of respiratory system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis and emphysema PFIZER INC. (US) 2010-08-10 US disclosed
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists GLOSSOP PAUL ALAN 2010-02-04 US disclosed
EP-1928821-B1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 2009-01-07 EP disclosed
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED 2007-05-10 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 (5 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 EPHX2 1549/4885SRD5A1 392/4885SCD5 1829/4885
US-20110251164-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 EPHX2 1013/4885SRD5A1 1435/4885SCD5 975/4885
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 EPHX2 1013/4885SRD5A1 1435/4885SCD5 975/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 EPHX2 1549/4885SRD5A1 392/4885SCD5 1829/4885
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 EPHX2 1013/4885SRD5A1 1435/4885SCD5 975/4885

“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.