SCHEMBL2180247

SCHEMBL2180247

O=C(O)CCN1CCc2ccc(OCc3ccc(C4CCCCC4)c(C(F)(F)F)c3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR4 O95977 3/20 0.56
S1PR5 Q9H228 3/20 0.56
ADORA3 P0DMS8 1/20 0.53
S1PR3 Q99500 2/20 0.51
S1PR2 O95136 1/20 0.51

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
SCHEMBL2168010 0.97 S1PR1 (0.56) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL3848805 0.84 S1PR1 (0.54) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL3855566 0.83 S1PR1 (0.56) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL3847474 0.82 S1PR1 (0.57) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL3848347 0.82 S1PR1 (0.55) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL2180656 0.82 S1PR1 (0.55) S1PR1
SCHEMBL13980737 0.82 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL2178316 0.81 S1PR1 (0.54) S1PR1S1PR4S1PR5
SCHEMBL3853824 0.81 S1PR1 (0.54) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL13713803 0.81 S1PR1 (0.56) S1PR1S1PR4S1PR5ADORA3S1PR3

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
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP claimed
JP-4728962-B2 2011-07-20 JP claimed
EP-1644367-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP claimed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US claimed
JP-2007501860-A 2007-02-01 JP claimed
EP-1644367-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-04-12 EP claimed
US-20050009786-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-13 US claimed
WO-2004113330-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-29 WO claimed
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP disclosed
EP-1644367-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
EP-1644367-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-04-12 EP disclosed
US-20050009786-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-13 US disclosed
WO-2004113330-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-29 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-20050009786-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR4 211/4885S1PR5 70/4885

“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.