SCHEMBL565890

SCHEMBL565890

NC(CO)(CO)CN1CCc2cc(OCc3cccc(F)c3)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MAOB P27338 8/20 0.45
MAOA P21397 1/20 0.45
PARP10 Q53GL7 1/20 0.45
HRH3 Q9Y5N1 3/20 0.43
CYP2D6 P10635 1/20 0.43
HRH1 P35367 1/20 0.43
NR4A2 P43354 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL566650 0.89 CARM1 (0.58) CARM1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL2832935 0.88 PRMT5 (0.45) CARM1ITGB3ITGA2BMAOBMAOA
SCHEMBL3507700 0.82 ITGB3 (0.57) CARM1ITGB3ITGA2BMAOBMAOA
SCHEMBL4423589 0.80 ITGB3 (0.51) CARM1ITGB3ITGA2BMAOBMAOA
SCHEMBL566699 0.79 PRMT5 (0.48) CARM1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL3502972 0.77 MAOB (0.54) ITGB3ITGA2BMAOBMAOAPARP10
SCHEMBL4418051 0.77 CYP2D6 (0.49) CARM1MAOBMAOAHRH3CYP2D6
SCHEMBL5044893 0.76 MAOB (0.52) MAOBMAOAPARP10L3MBTL1
SCHEMBL5806902 0.76 HRH3 (0.55) CARM1MAOBMAOAHRH3
SCHEMBL6532654 0.75 S1PR1 (0.51) CARM1MAOBMAOAHRH3HRH1

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 12 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-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US claimed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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 CARM1 3339/4885ITGB3 1811/4885ITGA2B 2257/4885

“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.