SCHEMBL2776596

SCHEMBL2776596

COc1ccc(C2(Oc3ccc4cc([C@]5(C)COC(=O)N5)ccc4c3)CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDE7A Q13946 2/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2A6 P11509 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL2776525 0.89 LMNA (0.32) LMNASLC6A4SLC6A3
SCHEMBL2452583 0.85 LMNA (0.53) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2452586 0.85 LMNA (0.53) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2456882 0.82 LMNA (0.34) LMNA
SCHEMBL2452281 0.76 MAOB (0.33) LMNASLC6A4SLC6A3
SCHEMBL2776591 0.74 MGLL (0.38) LMNAALDH1A1KDM4EL3MBTL1MGLL
SCHEMBL2779946 0.74 MGLL (0.38) LMNAALDH1A1KDM4EL3MBTL1MGLL
SCHEMBL2454008 0.73 LMNA (0.35) LMNASLC6A4SLC6A3MGLL
SCHEMBL2454011 0.73 LMNA (0.35) LMNASLC6A4SLC6A3MGLL
SCHEMBL2451682 0.72 MAOB (0.37) LMNASLC6A4SLC6A3HPGDMGLL

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 LMNA 3016/4885GRIN1 1616/4885GRIN2A 1836/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 LMNA 2435/4885GRIN1 2027/4885GRIN2A 1888/4885

“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.