SCHEMBL9101763

SCHEMBL9101763

C/C(=N\OCC(Cc1ccc(C)c(C)c1)c1cccc(Cl)c1)c1ccc(CN2CC(C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.47
S1PR5 Q9H228 9/20 0.47
S1PR3 Q99500 1/20 0.41

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
SCHEMBL9101769 1.00 S1PR1 (0.47) S1PR1S1PR5S1PR3
SCHEMBL9107349 0.93 S1PR5 (0.43) S1PR1S1PR5S1PR3
SCHEMBL9107346 0.93 S1PR5 (0.43) S1PR1S1PR5S1PR3
SCHEMBL15388047 0.87 S1PR1 (0.42) S1PR1S1PR5
SCHEMBL15388046 0.87 S1PR1 (0.42) S1PR1S1PR5
SCHEMBL9103328 0.86 S1PR1 (0.50) S1PR1S1PR5S1PR3
SCHEMBL9103324 0.86 S1PR1 (0.50) S1PR1S1PR5S1PR3
SCHEMBL9109165 0.81 S1PR1 (0.43) S1PR1
SCHEMBL9109163 0.81 S1PR1 (0.43) S1PR1
SCHEMBL16504302 0.81 S1PR1 (0.51) S1PR1S1PR5S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646018-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8518932-B2 Oxime azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-27 US claimed
WO-2012074780-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646018-B1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
EP-2646018-B1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
US-20130310360-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
US-20130310360-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
EP-2646018-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8518932-B2 Oxime azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-27 US disclosed
US-8518932-B2 Oxime azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-27 US disclosed
US-8518932-B2 Oxime azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-27 US disclosed
WO-2012074780-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
WO-2012074780-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20130310360-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885S1PR3 4/4885
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885S1PR3 4/4885

“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.