SCHEMBL13276261

SCHEMBL13276261

CCCCCCc1ccc(-c2ccc(CNCCOP(=O)(O)O)c3ncccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.44
▸ S1PR3 Q99500 19/20 0.44
▸ S1PR2 O95136 14/20 0.44
▸ LPAR2 Q9HBW0 6/20 0.44
▸ S1PR4 O95977 11/20 0.41
▸ S1PR5 Q9H228 7/20 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
SCHEMBL13276059 0.88 S1PR3 (0.60) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13276325 0.88 S1PR3 (0.60) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13471189 0.86 S1PR1 (0.37) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13276070 0.86 HTR5A (0.43) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13464618 0.85 S1PR1 (0.39) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13464647 0.85 S1PR1 (0.39) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13276274 0.84 S1PR1 (0.50) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL27939769 0.83 HTR5A (0.41) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL27939768 0.83 HTR5A (0.41) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL17060893 0.82 HTR5A (0.40) S1PR1S1PR3S1PR2LPAR2S1PR4

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 15 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-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 S1PR1 1/4885S1PR3 2/4885S1PR2 3/4885
US-20120264716-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR2 3/4885

“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.

Send feedback