SCHEMBL566494

SCHEMBL566494

CC1(C)OCC(CN2CCc3cc(OCc4ccccc4)ccc3C2)(NC(=O)O)CO1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.53
HRH3 Q9Y5N1 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CYP2D6 P10635 3/20 0.46
HRH1 P35367 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
REV1 Q9UBZ9 1/20 0.43
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
S1PR1 P21453 1/20 0.41
FFAR1 O14842 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL565997 0.92 CARM1 (0.45) CARM1HRH3L3MBTL1ITGB3ITGA2B
SCHEMBL564883 0.88 CD274 (0.45) CARM1HRH3L3MBTL1ITGB3ITGA2B
SCHEMBL566353 0.84 ESR2 (0.41) PRMT5ACACB
SCHEMBL3045956 0.72 REV1 (0.70) CARM1HRH3L3MBTL1CYP2D6HRH1
SCHEMBL16527320 0.72 PPARG (0.38) L3MBTL1FFAR1
SCHEMBL16527533 0.72 PPARG (0.39) HRH3L3MBTL1FFAR1
SCHEMBL566155 0.72 MOGAT2 (0.40) S1PR1
SCHEMBL4917832 0.69 HRH3 (0.77) CARM1HRH3L3MBTL1CYP2D6HRH1
SCHEMBL8188071 0.69 HRH3 (0.92) CARM1HRH3L3MBTL1CYP2D6HRH1
SCHEMBL23684926 0.69 ESR2 (0.64) CARM1HRH3L3MBTL1CYP2D6HRH1

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 4 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
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

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 3339/4885HRH3 461/4885L3MBTL1 2349/4885

“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.