SCHEMBL3849903

SCHEMBL3849903

O=C(O)CCN1CCC(c2ccc(OCc3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.58
S1PR3 Q99500 5/20 0.58
FFAR4 Q5NUL3 5/20 0.47
S1PR4 O95977 2/20 0.46
S1PR5 Q9H228 2/20 0.46
FFAR1 O14842 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GBA1 P04062 2/20 0.42
LCT P09848 2/20 0.42
UGCG Q16739 2/20 0.42
GBA2 Q9HCG7 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL3852741 0.96 S1PR1 (0.53) S1PR1S1PR3FFAR4S1PR4S1PR5
SCHEMBL3847275 0.95 S1PR1 (0.58) S1PR1S1PR3FFAR4S1PR4S1PR5
SCHEMBL3847427 0.92 S1PR1 (0.48) S1PR1S1PR3FFAR4S1PR4S1PR5
SCHEMBL3847487 0.90 S1PR1 (0.53) S1PR1S1PR3FFAR4S1PR4S1PR5
SCHEMBL3848092 0.87 S1PR1 (0.52) S1PR1S1PR3FFAR4FFAR1ADRA1D
SCHEMBL3854586 0.87 S1PR1 (0.50) S1PR1S1PR3FFAR4S1PR5FFAR1
SCHEMBL3847399 0.86 S1PR1 (0.48) S1PR1S1PR3FFAR4S1PR4S1PR5
SCHEMBL3853263 0.85 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL3855566 0.84 S1PR1 (0.56) S1PR1S1PR3FFAR4S1PR4S1PR5
SCHEMBL3851799 0.83 S1PR1 (0.56) S1PR1S1PR3FFAR4S1PR5FFAR1

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 133/4885S1PR3 142/4885FFAR4 691/4885

“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.