SCHEMBL2451967

SCHEMBL2451967

C[C@@]1(c2ccc3cc(O[C@H]4CC[C@H](C5CCCC5)CC4)ccc3c2)COC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
ABL1 P00519 2/20 0.34
ROCK1 Q13464 3/20 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 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL2451971 1.00 MAOB (0.35) MAOBMAOALMNAHRH3ABL1
SCHEMBL2778822 1.00 MAOB (0.35) MAOBMAOALMNAHRH3ABL1
SCHEMBL2451965 1.00 MAOB (0.35) MAOBMAOALMNAHRH3ABL1
SCHEMBL2780141 1.00 MAOB (0.35) MAOBMAOALMNAHRH3ABL1
SCHEMBL2778825 1.00 MAOB (0.35) MAOBMAOALMNAHRH3ABL1
SCHEMBL2451686 0.99 MAOB (0.37) MAOBMAOALMNAHRH3ABL1
SCHEMBL2451690 0.99 MAOB (0.37) MAOBMAOALMNAHRH3ABL1
SCHEMBL2451682 0.99 MAOB (0.37) MAOBMAOALMNAHRH3ABL1
SCHEMBL2451736 0.95 ROCK1 (0.33) MAOBMAOALMNAHRH3ABL1
SCHEMBL2451738 0.95 ROCK1 (0.33) MAOBMAOALMNAHRH3ABL1

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 MAOB 3559/4885MAOA 3924/4885LMNA 3016/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 MAOB 4219/4885MAOA 4183/4885LMNA 2435/4885

“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.