SCHEMBL2777519

SCHEMBL2777519

CCC(=O)C1CCC(OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
OPRM1 P35372 2/20 0.48
OPRL1 P41146 2/20 0.48
TMEM97 Q5BJF2 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DPP4 P27487 1/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL2777516 1.00 EPHX2 (0.50) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2781677 1.00 EPHX2 (0.50) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2776244 0.90 ABL1 (0.48) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2775959 0.90 ABL1 (0.48) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2775960 0.90 ABL1 (0.48) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL4313351 0.88 EPHX2 (0.44) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2776825 0.86 OPRM1 (0.49) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2449563 0.86 OPRM1 (0.49) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2452190 0.86 OPRM1 (0.49) EPHX2OPRM1OPRL1TMEM97CARM1
SCHEMBL2278661 0.85 ALDH1A1 (0.57) EPHX2OPRM1OPRL1TMEM97CARM1

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

“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.