SCHEMBL565997

SCHEMBL565997

CC1(C)OCC(CN2CCc3cc(OCc4cccc(F)c4)ccc3C2)(NC(=O)O)CO1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.45
CD274 Q9NZQ7 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 8/20 0.41
MAOA P21397 4/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
FFAR1 O14842 1/20 0.40
S1PR1 P21453 1/20 0.40

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 0.92 CARM1 (0.53) CARM1CD274GRIN1GRIN2BL3MBTL1
SCHEMBL564883 0.82 CD274 (0.45) CARM1CD274L3MBTL1ITGB3ITGA2B
SCHEMBL566353 0.80 ESR2 (0.41)
SCHEMBL3507700 0.75 ITGB3 (0.57) CARM1CD274L3MBTL1MAOBMAOA
SCHEMBL6532654 0.74 S1PR1 (0.51) CARM1CD274L3MBTL1MAOBMAOA
SCHEMBL4423589 0.74 ITGB3 (0.51) CARM1L3MBTL1MAOBMAOAITGB3
SCHEMBL3505922 0.73 HRH3 (0.52) L3MBTL1MAOBMAOAHRH3
SCHEMBL3504780 0.73 MAOB (0.56) L3MBTL1MAOBMAOAHRH3
SCHEMBL5565059 0.72 NPC1 (0.56) L3MBTL1MAOBMAOAHRH3
SCHEMBL3502972 0.71 MAOB (0.54) L3MBTL1MAOBMAOAITGB3ITGA2B

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 3339/4885CD274 1052/4885GRIN1 2725/4885

“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.