SCHEMBL1438341

SCHEMBL1438341

CC(C)(C)OC(=O)N1CCOC(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ITGA4 P13612 2/20 0.42
STS P08842 1/20 0.42
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 5/20 0.39
POLB P06746 1/20 0.38
GRIN2B Q13224 1/20 0.38
EPHA2 P29317 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL28035300 0.86 ITGA4 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1438033 0.84 MEN1 (0.41) ALDH1A1MEN1KMT2AITGA4HPGD
SCHEMBL1438903 0.83 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL12003357 0.83 MEN1 (0.43) ALDH1A1MEN1KMT2AITGA4
SCHEMBL1439088 0.82 ITGA4 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL12003456 0.82 S1PR5 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1437914 0.82 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1438085 0.80 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL497318 0.80 GPR119 (0.45) GPR119POLB
SCHEMBL1438319 0.80 CNR2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1

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 ALDH1A1 3506/4885MEN1 369/4885KMT2A 2005/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3626/4885MEN1 380/4885KMT2A 2072/4885

“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.