SCHEMBL3849640

SCHEMBL3849640

CCc1cc(OCc2ccc(C3CCN(CCC(=O)O)CC3)cc2)ccc1-c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.49
FFAR1 O14842 4/20 0.49
S1PR1 P21453 2/20 0.49
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
EGFR P00533 2/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
S1PR5 Q9H228 3/20 0.41
S1PR3 Q99500 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL3847424 0.92 S1PR1 (0.56) FFAR4FFAR1S1PR1ADRA1DADRA1A
SCHEMBL13713817 0.91 S1PR1 (0.49) FFAR4FFAR1S1PR1ADRA1DADRA1A
SCHEMBL3854586 0.88 S1PR1 (0.50) FFAR4FFAR1S1PR1ADRA1DADRA1A
SCHEMBL3851799 0.84 S1PR1 (0.56) FFAR4FFAR1S1PR1ADRA1DADRA1A
SCHEMBL3850676 0.81 S1PR1 (0.51) FFAR4FFAR1S1PR1ADRA1DADRA1A
SCHEMBL3849949 0.81 HRH3 (0.52) FFAR4S1PR1ADRA1DADRA1AADRA1B
SCHEMBL2180775 0.81 S1PR1 (0.53) FFAR4FFAR1S1PR1S1PR5S1PR3
SCHEMBL3847275 0.78 S1PR1 (0.58) FFAR4S1PR1ADRA1DADRA1AADRA1B
SCHEMBL3848092 0.78 S1PR1 (0.52) FFAR4FFAR1S1PR1ADRA1DADRA1A
SCHEMBL3853711 0.78 S1PR1 (0.53) FFAR4FFAR1S1PR1HRH3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 FFAR4 691/4885FFAR1 621/4885S1PR1 133/4885

“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.