SCHEMBL400362

SCHEMBL400362

CCOC(=O)CCCn1ccc2c(-c3noc(-c4ccc(-c5ccccc5)c(C#N)c4)n3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.51
S1PR5 Q9H228 6/20 0.44
S1PR3 Q99500 5/20 0.44
CNR1 P21554 1/20 0.40
TNF P01375 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
SCHEMBL402825 0.90 S1PR1 (0.57) S1PR1S1PR5S1PR3
SCHEMBL401183 0.88 S1PR1 (0.51) S1PR1S1PR5S1PR3
SCHEMBL398415 0.88 S1PR1 (0.62) S1PR1S1PR5S1PR3
SCHEMBL400808 0.87 S1PR1 (0.51) S1PR1S1PR5S1PR3
SCHEMBL401644 0.86 S1PR1 (0.55) S1PR1S1PR5S1PR3
SCHEMBL404067 0.86 S1PR1 (0.55) S1PR1S1PR5S1PR3
SCHEMBL404436 0.83 S1PR1 (0.65) S1PR1S1PR5S1PR3
SCHEMBL402559 0.82 S1PR1 (0.54) S1PR1S1PR5S1PR3
SCHEMBL10130692 0.81 S1PR1 (0.50) S1PR1S1PR5S1PR3
SCHEMBL4243677 0.80 S1PR1 (0.56) S1PR1S1PR5S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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 (1 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR5 4/4885S1PR3 2/4885

“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.