SCHEMBL14892785

SCHEMBL14892785

O=C(NCc1ccccc1)N1CC2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.68
▸ PKM P14618 5/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ TRPV4 Q9HBA0 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 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
SCHEMBL17707671 0.85 EPHX2 (0.50) EPHX2PKMKMT2ATRPV4SMN1; SMN2
SCHEMBL14902768 0.81 EPHX2 (1.00) EPHX2PKMKMT2A
SCHEMBL14920210 0.81 EPHX2 (0.52) EPHX2TRPV4HTT
SCHEMBL14902779 0.73 EPHX2 (0.82) EPHX2
SCHEMBL16200782 0.72 EPHX2 (0.81) EPHX2
SCHEMBL14892920 0.72 EPHX2 (1.00) EPHX2
SCHEMBL14902796 0.71 EPHX2 (0.74) EPHX2
SCHEMBL30306676 0.70 EPHX1 (0.49) EPHX2PKMKMT2AMEN1
SCHEMBL26764345 0.70 EPHX1 (0.49) EPHX2PKMKMT2AMEN1
SCHEMBL23850293 0.69 EPHX2 (0.47) EPHX2PKMKMT2ATRPV4SMN1; SMN2

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-2773644-B1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE HOFFMANN LA ROCHE (CH) 2016-05-04 — — EP claimed
US-9139593-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2015-09-22 — — US claimed
US-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFMANN-LA ROCHE AG (CH) 2014-10-30 — — US claimed
EP-2773644-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 — — EP claimed
WO-2013064467-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 — — WO claimed
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN-LA ROCHE INC. (US) 2013-05-02 — — US claimed
EP-2773644-B1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE HOFFMANN LA ROCHE (CH) 2016-05-04 — — EP disclosed
US-9139593-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2015-09-22 — — US disclosed
US-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFMANN-LA ROCHE AG (CH) 2014-10-30 — — US disclosed
EP-2773644-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 — — EP disclosed
US-8809552-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
WO-2013064467-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 — — WO disclosed
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN-LA ROCHE INC. (US) 2013-05-02 — — 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-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE EPHX1, EPHX2, HRH2 EPHX2 2/4885PKM 3579/4885KMT2A 3111/4885
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE EPHX1, EPHX2, HRH2 EPHX2 2/4885PKM 3579/4885KMT2A 3111/4885

“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.

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