SCHEMBL564883

SCHEMBL564883

CC1(C)OCC(CN2CCc3cc(OCc4ccc(-c5ccccc5C(F)(F)F)cc4)ccc3C2)(NC(=O)O)CO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.45
CARM1 Q86X55 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ACACB O00763 5/20 0.38
HRH3 Q9Y5N1 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 3/20 0.37
EPHX2 P34913 1/20 0.37
S1PR1 P21453 1/20 0.37
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
REV1 Q9UBZ9 1/20 0.36

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
SCHEMBL566494 0.88 CARM1 (0.53) CD274CARM1ITGB3ITGA2BPRMT5
SCHEMBL565997 0.82 CARM1 (0.45) CD274CARM1ITGB3ITGA2BHRH3
SCHEMBL566699 0.75 PRMT5 (0.48) CD274CARM1ITGB3ITGA2BPRMT5
SCHEMBL2182632 0.71 S1PR1 (0.55) CD274CARM1ITGB3ITGA2BPRMT5
SCHEMBL2832935 0.70 PRMT5 (0.45) CD274CARM1ITGB3ITGA2BPRMT5
SCHEMBL2179759 0.70 S1PR1 (0.53) CD274CARM1ITGB3ITGA2BPRMT5
SCHEMBL13980737 0.68 S1PR1 (0.53) CD274ITGB3ITGA2BPRMT5WDR77
SCHEMBL4744606 0.68 S1PR1 (0.46) CD274CARM1ITGB3ITGA2BPRMT5
SCHEMBL566288 0.67 S1PR1 (0.60) S1PR1
SCHEMBL566155 0.66 MOGAT2 (0.40) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 CD274 1052/4885CARM1 3339/4885ITGB3 1811/4885

“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.