SCHEMBL3406793

SCHEMBL3406793

CCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C)c1CCC(=O)NC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.60
S1PR3 Q99500 19/20 0.60
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL3405045 0.91 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL3408011 0.91 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL3783587 0.90 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL3402308 0.90 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL3408153 0.86 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL3407949 0.86 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL3408752 0.82 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL3408630 0.79 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3406459 0.78 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL3407733 0.78 S1PR1 (0.71) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015695-B Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD 2014-08-27 CN disclosed
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
CN-102015695-A Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD 2011-04-13 CN disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 US disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 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-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 S1PR1 94/4885S1PR3 104/4885S1PR5 142/4885

“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.