SCHEMBL1438422

SCHEMBL1438422

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(CCc3c(Cl)cccc3Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.42
DRD3 P35462 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MOGAT2 Q3SYC2 1/20 0.36

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
SCHEMBL1438103 0.92 CNR2 (0.43) CNR2DRD3MEN1KMT2AMOGAT2
SCHEMBL1437608 0.88 MEN1 (0.47) CNR2DRD3MEN1KMT2AMOGAT2
SCHEMBL12003603 0.88 S1PR1 (0.40) CNR2DRD3MEN1KMT2A
SCHEMBL1438553 0.86 CNR2 (0.48) CNR2DRD3MEN1KMT2AMOGAT2
SCHEMBL1438033 0.86 MEN1 (0.41) CNR2DRD3MEN1KMT2A
SCHEMBL1438286 0.86 DRD3 (0.39) CNR2DRD3MEN1KMT2A
SCHEMBL1438291 0.86 CNR2 (0.41) CNR2DRD3MEN1KMT2AMOGAT2
SCHEMBL15153668 0.86 MEN1 (0.45) CNR2DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL12003677 0.85 CNR2 (0.48) CNR2DRD3MEN1KMT2AMOGAT2
SCHEMBL1436982 0.85 LMNA (0.41) CNR2DRD3MEN1KMT2A

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 CNR2 9/4885DRD3 246/4885MEN1 369/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 10/4885DRD3 302/4885MEN1 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.