SCHEMBL177500

SCHEMBL177500

CCCCCCCCc1ccc(N2CCN(CC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.70
SMN1; SMN2 Q16637 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 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
SCHEMBL177063 0.83 S1PR1 (1.00) S1PR1THRATHRBKDM4EGAA
SCHEMBL29098490 0.80 SMN1; SMN2 (0.44) S1PR1SMN1; SMN2KDM4EGAA
SCHEMBL16824829 0.79 GFER (0.53) S1PR1SMN1; SMN2KDM4EGAA
SCHEMBL22636512 0.79 DRD2 (0.51) SMN1; SMN2KDM4EGAA
SCHEMBL3785257 0.78 MAPT (0.58) S1PR1SMN1; SMN2ME2ME1ME3
SCHEMBL12436513 0.78 S1PR1 (0.70) S1PR1KDM4EGAAHTR2AHTR2C
SCHEMBL6793505 0.76 HRH3 (0.47) SMN1; SMN2
SCHEMBL177462 0.75 S1PR1 (0.71) S1PR1THRATHRBME2ME1
SCHEMBL27466500 0.75 S1PR1 (0.71) S1PR1THRATHRB
SCHEMBL18379336 0.74 GNAI3 (0.42) S1PR1KDM4ES1PR3S1PR5

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-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
CN-102186845-A S1p receptors modulators and their use thereof AKAAL PHARMA PTY LTD 2011-09-14 CN disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 S1PR1 1/4885SMN1; SMN2 3064/4885THRA 1275/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885SMN1; SMN2 3064/4885THRA 1275/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885SMN1; SMN2 2073/4885THRA 983/4885

“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.