SCHEMBL1438481

SCHEMBL1438481

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(OCCCOc3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CNR2 P34972 2/20 0.46
S1PR1 P21453 1/20 0.44
PDE4B Q07343 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
DRD3 P35462 3/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRA P10827 1/20 0.39

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
SCHEMBL1438086 0.98 KMT2A (0.47) KMT2AMEN1CNR2S1PR1PDE4B
SCHEMBL1438442 0.97 CNR2 (0.47) KMT2AMEN1CNR2S1PR1PDE4B
SCHEMBL1438060 0.93 S1PR1 (0.55) KMT2AMEN1CNR2S1PR1ALDH1A1
SCHEMBL12003570 0.92 S1PR1 (0.46) KMT2AMEN1CNR2S1PR1HRH3
SCHEMBL1438123 0.92 S1PR1 (0.52) KMT2AMEN1CNR2S1PR1HRH3
SCHEMBL1438133 0.92 S1PR1 (0.48) KMT2AMEN1CNR2S1PR1ALDH1A1
SCHEMBL1437672 0.91 KMT2A (0.51) KMT2AMEN1HRH3KCNH2ALDH1A1
SCHEMBL323393 0.91 CNR2 (0.56) KMT2AMEN1CNR2ALDH1A1DRD3
SCHEMBL1438011 0.89 EGFR (0.49) KMT2AMEN1CNR2ALDH1A1LMNA
SCHEMBL1438811 0.89 HRH3 (0.42) KMT2AMEN1S1PR1HRH3KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 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 (2 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 KMT2A 2005/4885MEN1 369/4885CNR2 9/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 KMT2A 2072/4885MEN1 380/4885CNR2 10/4885

“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.