SCHEMBL6123152

SCHEMBL6123152

Cc1cc(C2CCNCC2)ccc1-c1noc(-c2nn(C)c3c2CCC(C)(C)C3)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLAT P00750 14/20 0.39
S1PR1 P21453 6/20 0.36
S1PR5 Q9H228 5/20 0.35
S1PR3 Q99500 3/20 0.34

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
SCHEMBL6122864 0.89 PLAT (0.37) PLATS1PR1S1PR5S1PR3
SCHEMBL2473873 0.86 S1PR1 (0.41) S1PR1S1PR5S1PR3
SCHEMBL13262689 0.84 S1PR1 (0.43) S1PR1S1PR5S1PR3
SCHEMBL13262794 0.82 GPR119 (0.39) S1PR1S1PR5
SCHEMBL2472751 0.78 S1PR1 (0.35) S1PR1S1PR5S1PR3
SCHEMBL16496145 0.78 S1PR1 (0.35) S1PR1S1PR5S1PR3
SCHEMBL2474648 0.76 S1PR1 (0.41) S1PR1S1PR5S1PR3
SCHEMBL2474988 0.75 S1PR1 (0.40) S1PR1S1PR5S1PR3
SCHEMBL13262584 0.75 PLAT (0.38) PLATS1PR1S1PR5S1PR3
SCHEMBL16503777 0.73 GPR119 (0.38) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455081-A1 S1P1 receptor agonists for use in the treatment of crohn's disease Almirall, S.A. (ES) 2012-05-23 EP claimed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US claimed
EP-2455080-A1 S1P1 receptor agonists for use in the treatment of multiple sclerosis Almirall, S.A. (ES) 2012-05-23 EP disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 PLAT 3116/4885S1PR1 1/4885S1PR5 4/4885

“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.