SCHEMBL2776825

SCHEMBL2776825

CC(=O)C1CCC(OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRL1 P41146 2/20 0.49
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TMEM97 Q5BJF2 1/20 0.47
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DPP4 P27487 1/20 0.46
BCHE P06276 3/20 0.45
GAA P10253 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43

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
SCHEMBL2452190 1.00 OPRM1 (0.49) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL2449563 1.00 OPRM1 (0.49) OPRM1OPRL1EPHX2ALDH1A1TMEM97
Ethylene SCHEMBL4078531 0.97 OPRM1 (0.47) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL19515095 0.87 ALDH1A1 (0.57) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL2278661 0.87 ALDH1A1 (0.57) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL2777516 0.86 EPHX2 (0.50) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL2781677 0.86 EPHX2 (0.50) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL2777519 0.86 EPHX2 (0.50) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL12017809 0.85 ALDH1A1 (0.49) OPRM1OPRL1EPHX2ALDH1A1TMEM97
SCHEMBL13470194 0.84 ALDH1A1 (0.52) OPRM1OPRL1EPHX2ALDH1A1TMEM97

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 OPRM1 1293/4885OPRL1 566/4885EPHX2 2292/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 OPRM1 1136/4885OPRL1 488/4885EPHX2 3083/4885

“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.