SCHEMBL2776244

SCHEMBL2776244

CCCC(=O)[C@H]1CC[C@H](OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
EPHX2 P34913 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
BCHE P06276 1/20 0.42
DPP4 P27487 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
SCHEMBL2775960 1.00 ABL1 (0.48) ABL1RIN1OPRM1OPRL1EPHX2
SCHEMBL2775959 1.00 ABL1 (0.48) ABL1RIN1OPRM1OPRL1EPHX2
SCHEMBL2777516 0.90 EPHX2 (0.50) ABL1RIN1OPRM1OPRL1EPHX2
SCHEMBL2781677 0.90 EPHX2 (0.50) ABL1RIN1OPRM1OPRL1EPHX2
SCHEMBL2777519 0.90 EPHX2 (0.50) ABL1RIN1OPRM1OPRL1EPHX2
SCHEMBL4219417 0.87 EPHX2 (0.45) ABL1RIN1OPRM1OPRL1EPHX2
SCHEMBL2776825 0.82 OPRM1 (0.49) OPRM1OPRL1EPHX2TMEM97CARM1
SCHEMBL2449563 0.82 OPRM1 (0.49) OPRM1OPRL1EPHX2TMEM97CARM1
SCHEMBL2452190 0.82 OPRM1 (0.49) OPRM1OPRL1EPHX2TMEM97CARM1
SCHEMBL19515095 0.82 ALDH1A1 (0.57) OPRM1OPRL1EPHX2TMEM97CARM1

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 ABL1 3011/4885RIN1 2895/4885OPRM1 1293/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 ABL1 4414/4885RIN1 1221/4885OPRM1 1136/4885

“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.