SCHEMBL2478769

SCHEMBL2478769

CC(C)(C)OC(=O)NC1(C2CCc3cc(O)ccc3C2)COC(C)(C)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
ACHE P22303 4/20 0.40
ESR2 Q92731 1/20 0.40
OPRK1 P41145 1/20 0.37
SOD1 P00441 1/20 0.36
NR3C1 P04150 3/20 0.33
AR P10275 1/20 0.33
GAA P10253 1/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL2471042 0.86 CA1 (0.44) CA1CA2ACHEOPRK1SOD1
SCHEMBL2439590 0.84 DRD2 (0.41) CA1CA2ACHEDRD2DRD3
SCHEMBL7399411 0.73 CA1 (0.64) CA1CA2ACHEESR2OPRK1
SCHEMBL565044 0.70 ESR2 (0.42) ESR2NR1H2DRD2MAPK1
SCHEMBL9134300 0.70 DRD2 (0.47) CA1CA2ACHEESR2OPRK1
SCHEMBL2480740 0.70 NQO2 (0.37) ESR2GAAMEN1CYP3A4KMT2A
SCHEMBL9136687 0.68 CA1 (0.64) CA1CA2ACHEESR2DRD2
SCHEMBL5722246 0.68 CA1 (0.64) CA1CA2ACHEESR2DRD2
SCHEMBL5677299 0.68 CA1 (0.64) CA1CA2ACHEESR2DRD2
SCHEMBL8768742 0.68 OPRM1 (0.54) CA1CA2ACHEESR2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 US disclosed
WO-2010051031-A1 HETEROBICYCLIC 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 (5 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 CA1 4768/4885CA2 4538/4885ACHE 4858/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 CA1 4768/4885CA2 4538/4885ACHE 4858/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CA1 4768/4885CA2 4538/4885ACHE 4858/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CA1 4768/4885CA2 4538/4885ACHE 4858/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CA1 4768/4885CA2 4538/4885ACHE 4858/4885

“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.