SCHEMBL2453802

SCHEMBL2453802

CC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)COP(=O)(O)O)ccc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.37
S1PR3 Q99500 7/20 0.37
S1PR5 Q9H228 5/20 0.37
S1PR4 O95977 4/20 0.37
KCNH2 Q12809 5/20 0.36
ENPP2 Q13822 1/20 0.35
SRC P12931 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1L1 Q9UHC9 1/20 0.33
GCG P01275 1/20 0.33
GCGR P47871 1/20 0.33
GIPR P48546 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2453805 1.00 S1PR1 (0.37) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2453803 1.00 S1PR1 (0.37) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2446646 0.92 ENPP2 (0.36) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2457011 0.92 ENPP2 (0.36) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2486038 0.88 S1PR1 (0.35) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2441341 0.87 KCNH2 (0.40) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2441337 0.87 KCNH2 (0.40) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2441346 0.87 KCNH2 (0.40) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2445954 0.87 HRH3 (0.38) S1PR1S1PR3S1PR5S1PR4KCNH2
SCHEMBL2441306 0.87 HRH3 (0.38) S1PR1S1PR3S1PR5S1PR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP claimed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US claimed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR5 5/4885

“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.