SCHEMBL1438319

SCHEMBL1438319

CC(C)(CN1CCOC(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
ITGA4 P13612 6/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD3 P35462 3/20 0.39
HPGD P15428 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
FABP1 P07148 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
SCHEMBL1439158 0.91 ITGA4 (0.40) CNR2ITGA4MEN1ALDH1A1KMT2A
SCHEMBL1439867 0.89 CNR2 (0.42) CNR2ITGA4MEN1ALDH1A1KMT2A
SCHEMBL1438245 0.85 S1PR5 (0.49) CNR2ITGA4MEN1ALDH1A1KMT2A
SCHEMBL1438905 0.85 CNR2 (0.38) CNR2ITGA4MEN1ALDH1A1KMT2A
SCHEMBL1438315 0.83 S1PR5 (0.51) CNR2MEN1KMT2AS1PR1S1PR5
SCHEMBL1438033 0.83 MEN1 (0.41) CNR2ITGA4MEN1ALDH1A1KMT2A
SCHEMBL1439908 0.83 S1PR5 (0.53) CNR2ITGA4MEN1ALDH1A1KMT2A
SCHEMBL12003925 0.83 DRD3 (0.38) CNR2ITGA4MEN1ALDH1A1KMT2A
SCHEMBL15484495 0.83 DRD3 (0.54) CNR2MEN1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1438074 0.83 S1PR5 (0.51) CNR2MEN1KMT2AS1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US claimed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP claimed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US claimed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP claimed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO claimed
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 CNR2 9/4885ITGA4 1005/4885MEN1 369/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 10/4885ITGA4 973/4885MEN1 380/4885

“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.