SCHEMBL2987643

SCHEMBL2987643

CC(C)(C)OC(=O)N1CCOc2ccc(C#N)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.55
GPR142 Q7Z601 3/20 0.46
ESR2 Q92731 1/20 0.46
MAPK1 P28482 1/20 0.45
NR1H2 P55055 1/20 0.45
GPR119 Q8TDV5 4/20 0.44
GPR183 P32249 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL2988793 0.91 RIPK1 (0.67) RIPK1GPR142ESR2MAPK1NR1H2
SCHEMBL19657617 0.83 RIPK1 (0.64) RIPK1ESR2MAPK1NR1H2GPR119
SCHEMBL13765601 0.82 RIPK1 (0.48) RIPK1ESR2MAPK1NR1H2GPR119
SCHEMBL30405260 0.82 RIPK1 (0.48) RIPK1ESR2MAPK1NR1H2USP2
SCHEMBL856288 0.82 RIPK1 (0.48) RIPK1ESR2MAPK1NR1H2USP2
SCHEMBL2727759 0.81 RIPK1 (0.47) RIPK1ESR2MAPK1NR1H2GPR119
SCHEMBL3762084 0.81 RIPK1 (0.47) RIPK1ESR2MAPK1NR1H2GPR119
SCHEMBL29586616 0.81 NR1H2 (0.67) RIPK1ESR2MAPK1NR1H2GPR119
SCHEMBL30548176 0.81 ESR2 (0.69) RIPK1ESR2MAPK1NR1H2GPR119
SCHEMBL2416879 0.81 NR1H2 (0.67) RIPK1ESR2MAPK1NR1H2GPR119

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 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-20100174065-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 RIPK1 4017/4885GPR142 4133/4885ESR2 579/4885
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 RIPK1 554/4885GPR142 3322/4885ESR2 1891/4885

“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.