SCHEMBL2776591

SCHEMBL2776591

COc1ccc(C2CCC(Oc3ccc4cc([C@]5(C)COC(=O)N5)ccc4c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL2776594 1.00 MGLL (0.38) MGLLLMNAL3MBTL1DRD2DRD4
SCHEMBL2779946 1.00 MGLL (0.38) MGLLLMNAL3MBTL1DRD2DRD4
SCHEMBL2778540 0.91 MGLL (0.35) MGLLLMNADRD2DDB1CRBN
SCHEMBL2777148 0.91 MGLL (0.35) MGLLLMNADRD2DDB1CRBN
SCHEMBL2777152 0.91 MGLL (0.35) MGLLLMNADRD2DDB1CRBN
SCHEMBL2449682 0.91 MGLL (0.35) MGLLLMNADRD2DDB1CRBN
SCHEMBL2778370 0.89 TSHR (0.37) MGLLLMNAMEN1KMT2AGAA
SCHEMBL2776523 0.89 TSHR (0.37) MGLLLMNAMEN1KMT2AGAA
SCHEMBL2776522 0.89 TSHR (0.37) MGLLLMNAMEN1KMT2AGAA
SCHEMBL2449929 0.87 MAOA (0.33) MGLLMAOAMAOB

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
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
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 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 (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 MGLL 833/4885LMNA 3016/4885L3MBTL1 2051/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 MGLL 1965/4885LMNA 2435/4885L3MBTL1 3293/4885

“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.