SCHEMBL176994

SCHEMBL176994

O=C(c1cn(CCCc2ccc(CCCCO)cc2)c2ccccc12)C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.75
KDM4E B2RXH2 1/20 0.57
IDO1 P14902 4/20 0.56
HTT P42858 1/20 0.52
CNR2 P34972 9/20 0.52
CNR1 P21554 6/20 0.52
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL565785 0.86 S1PR1 (0.66) S1PR1KDM4EIDO1HTTCNR2
SCHEMBL177127 0.84 S1PR1 (0.75) S1PR1KDM4EIDO1HTTCNR2
SCHEMBL7346173 0.80 KDM4E (0.65) S1PR1KDM4EIDO1HTTCNR2
SCHEMBL2041412 0.79 CNR2 (0.65) S1PR1KDM4EIDO1HTTCNR2
SCHEMBL2186845 0.78 KDM4E (0.74) S1PR1KDM4EIDO1HTTCNR2
SCHEMBL29051451 0.76 KDM4E (0.74) S1PR1KDM4EIDO1HTTCNR2
SCHEMBL3590980 0.75 L3MBTL1 (0.75) KDM4EIDO1HTTCNR2CNR1
SCHEMBL2187242 0.74 KDM4E (0.72) S1PR1KDM4EIDO1HTTMAPK1
SCHEMBL2040702 0.74 S1PR1 (0.53) S1PR1KDM4EIDO1HTTCNR2
SCHEMBL2037472 0.73 CNR2 (0.63) S1PR1KDM4EIDO1HTTCNR2

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 9 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
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 1/4885KDM4E 1508/4885IDO1 591/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885KDM4E 1508/4885IDO1 591/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885KDM4E 2503/4885IDO1 778/4885

“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.