SCHEMBL564864

SCHEMBL564864

CC1(C)OCC(CN2CCc3cc(O)ccc32)(NC(=O)O)CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.34
MAPT P10636 3/20 0.33
CHRM2 P08172 2/20 0.33
POLB P06746 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALOX5 P09917 2/20 0.32
EPHX2 P34913 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 3/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL565044 0.86 ESR2 (0.42) MAPTALOX5EPHX2ESR2CYP11B1
SCHEMBL565919 0.82 CHRM2 (0.38) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL566353 0.82 ESR2 (0.41) ESR2ESR1
SCHEMBL566357 0.79 THRB (0.45) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL565928 0.78 NOTUM (0.34) NOTUMALDH1A1
SCHEMBL565811 0.78 S1PR1 (0.58) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL566293 0.77 S1PR1 (0.43) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL566485 0.74 S1PR1 (0.36) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL30049294 0.67 DRD2 (0.49) NOTUMALOX5EPHX2MEN1ALDH1A1
SCHEMBL4232355 0.66 ESR2 (0.41) NOTUMMAPTCHRM2POLBCHRM4

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 NOTUM 3100/4885MAPT 4146/4885CHRM2 2559/4885

“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.