SCHEMBL2748065

SCHEMBL2748065

CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.61
S1PR3 Q99500 17/20 0.61
S1PR5 Q9H228 1/20 0.35
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL2746766 0.85 S1PR1 (0.45) S1PR1S1PR3
SCHEMBL1856300 0.80 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL1861990 0.79 S1PR1 (0.55) S1PR1S1PR3S1PR5GABRG2GABRB3
SCHEMBL2747009 0.78 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL1862109 0.78 S1PR1 (0.76) S1PR1S1PR3S1PR5
SCHEMBL2747311 0.74 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL1859650 0.74 S1PR1 (0.63) S1PR1S1PR3S1PR5
SCHEMBL1859310 0.73 S1PR1 (0.93) S1PR1S1PR3
SCHEMBL2747674 0.73 S1PR1 (0.63) S1PR1S1PR3S1PR5
SCHEMBL1424804 0.72 S1PR1 (0.50) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697732-B2 Pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US claimed
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-02 US claimed
EP-1979345-B1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-04 EP claimed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US claimed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 EP claimed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO claimed
US-8697732-B2 Pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US disclosed
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-02 US disclosed
US-8178562-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2012-05-15 US disclosed
EP-1979345-B1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-04 EP disclosed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 EP disclosed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 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-20090005421-A1 Novel Pyridine Derivatives NFATC1, TPMT, CD47 S1PR1 1245/4885S1PR3 1086/4885S1PR5 1144/4885
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES NFATC1, TPMT, CD47 S1PR1 1245/4885S1PR3 1086/4885S1PR5 1144/4885

“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.