SCHEMBL3849949

SCHEMBL3849949

CCc1cc(OCc2ccc(C3CCN(CCC(=O)O)CC3)cc2)ccc1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
S1PR1 P21453 3/20 0.51
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
PTPN1 P18031 1/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR3 Q99500 1/20 0.42
EGFR P00533 4/20 0.41
KCNH2 Q12809 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40

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
SCHEMBL3851888 0.90 HRH3 (0.53) HRH3S1PR1ADRA1DADRA1AADRA1B
SCHEMBL3847474 0.87 S1PR1 (0.57) S1PR1S1PR5S1PR3
SCHEMBL3853824 0.85 S1PR1 (0.54) HRH3S1PR1ADRA1DADRA1AADRA1B
SCHEMBL13713803 0.85 S1PR1 (0.56) S1PR1S1PR5S1PR3
SCHEMBL3847424 0.83 S1PR1 (0.56) HRH3S1PR1ADRA1DADRA1AADRA1B
SCHEMBL2178316 0.82 S1PR1 (0.54) HRH3S1PR1S1PR5
SCHEMBL13713817 0.82 S1PR1 (0.49) HRH3S1PR1ADRA1DADRA1AADRA1B
SCHEMBL3855566 0.82 S1PR1 (0.56) HRH3S1PR1FFAR4S1PR5S1PR3
SCHEMBL3849640 0.81 FFAR4 (0.49) HRH3S1PR1ADRA1DADRA1AADRA1B
SCHEMBL3853241 0.81 S1PR1 (0.53) HRH3S1PR1S1PR5S1PR3

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 HRH3 1062/4885S1PR1 133/4885ADRA1D 2193/4885

“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.