SCHEMBL2670879

SCHEMBL2670879

CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OCC(O)CN(C)C(=O)CO

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.80
S1PR3 Q99500 19/20 0.76

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
SCHEMBL2670751 1.00 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL2670846 0.89 S1PR1 (1.00) S1PR1S1PR3
Cenerimod SCHEMBL29439050 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2670878 0.89 S1PR1 (1.00) S1PR1S1PR3
Cenerimod SCHEMBL29449748 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2670844 0.89 S1PR1 (1.00) S1PR1S1PR3
Cenerimod SCHEMBL2670991 0.89 S1PR1 (1.00) S1PR1S1PR3
Cenerimod SCHEMBL2671193 0.89 S1PR1 (1.00) S1PR1S1PR3
Cenerimod SCHEMBL2670989 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL11301223 0.89 S1PR1 (0.77) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US claimed
EP-2852575-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID Actelion Pharmaceuticals Ltd. (CH) 2015-04-01 EP claimed
US-8658675-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-25 US claimed
WO-2013175397-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD (CH) 2013-11-28 WO claimed
EP-2454255-B1 PYRIDIN-4-YL DERIVATIVES AS S1P1/EDG1 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP claimed
EP-2454255-A1 PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-05-23 EP claimed
US-20120108638-A1 PYRIDIN-4-YL DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-05-03 US claimed
WO-2011007324-A1 PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-01-20 WO claimed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
EP-2852575-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID Actelion Pharmaceuticals Ltd. (CH) 2015-04-01 EP disclosed
US-8658675-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-25 US disclosed
WO-2013175397-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD (CH) 2013-11-28 WO disclosed
EP-2454255-B1 PYRIDIN-4-YL DERIVATIVES AS S1P1/EDG1 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
EP-2454255-A1 PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-05-23 EP disclosed
US-20120108638-A1 PYRIDIN-4-YL DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-05-03 US disclosed
WO-2011007324-A1 PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-01-20 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-20120108638-A1 PYRIDIN-4-YL DERIVATIVES CD4, IL4, FCGRT S1PR1 121/4885S1PR3 116/4885
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID IMPDH1, IMPDH2, ITPA S1PR1 2195/4885S1PR3 2826/4885

“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.