SCHEMBL13276166

SCHEMBL13276166

CCCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)c3ncccc23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 17/20 0.47
S1PR2 O95136 16/20 0.47
S1PR1 P21453 16/20 0.47
LPAR2 Q9HBW0 13/20 0.47
S1PR4 O95977 3/20 0.45
S1PR5 Q9H228 1/20 0.45
GLO1 Q04760 1/20 0.40
HTR5A P47898 1/20 0.40
DGAT2 Q96PD7 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
SCHEMBL13276068 1.00 S1PR3 (0.47) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13276291 0.89 S1PR3 (0.38) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13276248 0.88 GLO1 (0.39) S1PR3S1PR2S1PR1LPAR2GLO1
SCHEMBL13276400 0.88 S1PR3 (0.43) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13276325 0.88 S1PR3 (0.60) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13276059 0.88 S1PR3 (0.60) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13276093 0.88 S1PR3 (0.42) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13276350 0.86 S1PR1 (0.52) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13276303 0.86 DGAT2 (0.38) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL13277411 0.85 S1PR1 (0.55) S1PR3S1PR2S1PR1LPAR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697212-B1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN INC (US) 2015-09-09 EP claimed
EP-2697212-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS Allergan, Inc. (US) 2014-02-19 EP claimed
US-8653050-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-02-18 US claimed
US-20130338108-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2013-12-19 US claimed
US-8541582-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2013-09-24 US claimed
US-20120264716-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2012-10-18 US claimed
WO-2012142288-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2012-10-18 WO claimed
EP-2697212-B1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN INC (US) 2015-09-09 EP disclosed
EP-2697212-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS Allergan, Inc. (US) 2014-02-19 EP disclosed
US-8653050-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-02-18 US disclosed
US-20130338108-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2013-12-19 US disclosed
US-8541582-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2013-09-24 US disclosed
US-20120264716-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2012-10-18 US disclosed
WO-2012142288-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2012-10-18 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-20130338108-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 S1PR3 2/4885S1PR2 3/4885S1PR1 1/4885
US-20120264716-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 S1PR3 2/4885S1PR2 3/4885S1PR1 1/4885

“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.