SCHEMBL566699

SCHEMBL566699

NC(CO)(CO)CN1CCc2cc(OCc3ccc(-c4ccccc4C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.48
WDR77 Q9BQA1 5/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CARM1 Q86X55 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
HRH3 Q9Y5N1 7/20 0.42
CYP2D6 P10635 3/20 0.42
HRH1 P35367 1/20 0.42
S1PR1 P21453 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
REV1 Q9UBZ9 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL2832935 0.94 PRMT5 (0.45) PRMT5WDR77ITGB3ITGA2BCARM1
SCHEMBL566650 0.86 CARM1 (0.58) PRMT5WDR77ITGB3ITGA2BCARM1
SCHEMBL565890 0.79 CARM1 (0.46) PRMT5WDR77ITGB3ITGA2BCARM1
SCHEMBL564883 0.75 CD274 (0.45) PRMT5WDR77ITGB3ITGA2BCARM1
SCHEMBL2182632 0.74 S1PR1 (0.55) PRMT5WDR77ITGB3ITGA2BCARM1
SCHEMBL2179759 0.73 S1PR1 (0.53) PRMT5WDR77ITGB3ITGA2BCARM1
SCHEMBL13980737 0.71 S1PR1 (0.53) PRMT5WDR77ITGB3ITGA2BCD274
SCHEMBL566409 0.70 S1PR1 (0.58) S1PR1
SCHEMBL4744606 0.69 S1PR1 (0.46) PRMT5WDR77ITGB3ITGA2BCARM1
SCHEMBL3045956 0.68 REV1 (0.70) CARM1HRH3CYP2D6HRH1L3MBTL1

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 10 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 claimed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
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
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 PRMT5 2338/4885WDR77 1867/4885ITGB3 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.