SCHEMBL11028643

SCHEMBL11028643

O=C(O)C1CN(Cc2ccc3cc(O[C@@H]4C[C@@H]5C[C@@H]5C4)ccc3c2)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 16/20 0.52
S1PR1 P21453 14/20 0.49
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ENPP2 Q13822 2/20 0.48
S1PR3 Q99500 4/20 0.47
LTK P29376 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47

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
SCHEMBL11028645 1.00 S1PR5 (0.52) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL11942484 1.00 S1PR5 (0.52) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL18532963 1.00 S1PR5 (0.52) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL15942698 0.89 S1PR5 (0.51) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL19646477 0.88 S1PR5 (0.50) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL18532967 0.88 S1PR5 (0.50) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL20610830 0.88 S1PR5 (0.50) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL12471529 0.88 ENPP2 (0.52) S1PR5KCNH2SIGMAR1ENPP2
SCHEMBL11942471 0.87 FAAH (0.43) S1PR5S1PR1ENPP2
SCHEMBL11032487 0.87 FAAH (0.43) S1PR5S1PR1ENPP2

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
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 US disclosed
US-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. 2016-05-12 US disclosed
US-9186367-B2 Bicyclic aryl sphingosine 1-phosphate analogs BOIGEN MA INC. (US) 2015-11-17 US disclosed
EP-2461683-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2015-04-29 EP disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 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 (7 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-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 S1PR5 6/4885S1PR1 1/4885HTR2A 246/4885
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 S1PR5 6/4885S1PR1 1/4885HTR2A 246/4885
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 S1PR5 5/4885S1PR1 1/4885HTR2A 776/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 S1PR5 6/4885S1PR1 1/4885HTR2A 246/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 S1PR5 5/4885S1PR1 1/4885HTR2A 776/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 S1PR5 6/4885S1PR1 1/4885HTR2A 246/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 S1PR5 5/4885S1PR1 1/4885HTR2A 776/4885

“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.