SCHEMBL3849355

SCHEMBL3849355

COc1cc(COc2ccc(C3CCCCC3)c(CC(F)(F)F)c2)ccc1N1CCN(CCC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.44
S1PR4 O95977 2/20 0.44
S1PR5 Q9H228 2/20 0.44
DRD4 P21917 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 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
SCHEMBL3846467 0.89 S1PR1 (0.52) S1PR1S1PR4S1PR5DRD4ADORA3
SCHEMBL3849353 0.87 S1PR1 (0.47) S1PR1S1PR4S1PR5DRD4ADORA3
SCHEMBL3849361 0.85 DRD4 (0.40) S1PR1S1PR4S1PR5DRD4DRD2
SCHEMBL3845979 0.83 S1PR1 (0.53) S1PR1S1PR4S1PR5ADORA3
SCHEMBL3847474 0.78 S1PR1 (0.57) S1PR1S1PR4S1PR5ADORA3
SCHEMBL13713803 0.76 S1PR1 (0.56) S1PR1S1PR4S1PR5ADORA3
SCHEMBL3849949 0.74 HRH3 (0.52) S1PR1S1PR5
SCHEMBL2178316 0.72 S1PR1 (0.54) S1PR1S1PR4S1PR5
SCHEMBL3853824 0.71 S1PR1 (0.54) S1PR1S1PR4S1PR5ADORA3
SCHEMBL3855566 0.71 S1PR1 (0.56) S1PR1S1PR4S1PR5ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US claimed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US 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.