SCHEMBL3853824

SCHEMBL3853824

O=C(O)CCN1CCC(c2ccc(COc3ccc(C4CCCCC4)c(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.54
S1PR4 O95977 3/20 0.53
S1PR5 Q9H228 3/20 0.53
HRH3 Q9Y5N1 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
S1PR2 O95136 1/20 0.46
S1PR3 Q99500 1/20 0.46
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL3853241 0.96 S1PR1 (0.53) S1PR1S1PR4S1PR5HRH3ADORA3
SCHEMBL3855566 0.95 S1PR1 (0.56) S1PR1S1PR4S1PR5HRH3ADORA3
SCHEMBL3848347 0.90 S1PR1 (0.55) S1PR1S1PR4S1PR5HRH3ADORA3
SCHEMBL13713803 0.89 S1PR1 (0.56) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL3848805 0.87 S1PR1 (0.54) S1PR1S1PR4S1PR5HRH3ADORA3
SCHEMBL3847474 0.87 S1PR1 (0.57) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL3847503 0.87 S1PR1 (0.48) S1PR1S1PR4S1PR5HRH3S1PR3
SCHEMBL3851888 0.86 HRH3 (0.53) S1PR1S1PR5HRH3ADRA1DADRA1A
SCHEMBL3849949 0.85 HRH3 (0.52) S1PR1S1PR5HRH3S1PR3ADRA1D
SCHEMBL3847275 0.84 S1PR1 (0.58) S1PR1S1PR4S1PR5HRH3S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1921863-B Immunosuppressant compounds and compositions IRM LLC 2013-04-03 CN claimed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US claimed
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP claimed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US claimed
CN-1921863-A Immunosuppressant compounds and compositions IRM LLC (BM) 2007-02-28 CN claimed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP claimed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 WO claimed
CN-1921863-B Immunosuppressant compounds and compositions IRM LLC 2013-04-03 CN disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
CN-1921863-A Immunosuppressant compounds and compositions IRM LLC (BM) 2007-02-28 CN disclosed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 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-20070203100-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.