SCHEMBL13469385

SCHEMBL13469385

CCCCCCc1ccc(-c2ccc(CNCCCO[PH](=O)O)c3c2CCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.41
S1PR3 Q99500 14/20 0.41
S1PR2 O95136 12/20 0.41
LPAR2 Q9HBW0 4/20 0.41
S1PR4 O95977 7/20 0.39
S1PR5 Q9H228 1/20 0.39
RARB P10826 4/20 0.38
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL13471220 0.84 SLC2A1 (0.47) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13274634 0.82 S1PR3 (0.65) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13469327 0.80 S1PR1 (0.40) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13469236 0.80 S1PR1 (0.40) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13464647 0.79 S1PR1 (0.39) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL13464618 0.79 S1PR1 (0.39) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL17213912 0.77 KDM4E (0.39) S1PR1S1PR3S1PR5
SCHEMBL17060880 0.76 SLC2A1 (0.46) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL14642772 0.73 S1PR3 (0.40) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL17214346 0.72 SCN8A (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946195-B2 Bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2015-02-03 US disclosed
US-20140206652-A1 BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-07-24 US disclosed
US-8716267-B2 Bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-06 US disclosed
US-20120264718-A1 BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2012-10-18 US disclosed
WO-2012142377-A1 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-20140206652-A1 BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR2 3/4885
US-20120264718-A1 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.