SCHEMBL2452886

SCHEMBL2452886

CC(C)(C)[C@H]1CC[C@@H](Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KCNH2 Q12809 3/20 0.32
ROCK1 Q13464 2/20 0.32
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKG1 Q13976 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
Q6ZSR9 Q6ZSR9 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAOB P27338 2/20 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
SCHEMBL2456878 1.00 LMNA (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2456877 1.00 LMNA (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2452347 1.00 LMNA (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2777173 1.00 LMNA (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2452344 1.00 LMNA (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2449327 0.92 APP (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2776174 0.92 APP (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2449323 0.92 APP (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2449325 0.92 APP (0.33) LMNATRPV1KCNH2ROCK1ROCK2
SCHEMBL2449799 0.91 APP (0.39) LMNAROCK1ROCK2PRKACAPRKCD

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 7 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
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 LMNA 3016/4885TRPV1 520/4885KCNH2 3013/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 LMNA 2435/4885TRPV1 406/4885KCNH2 3000/4885

“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.