SCHEMBL324057

SCHEMBL324057

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(S(=O)(=O)c3c(Cl)cccc3Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STS P08842 1/20 0.39
CNR2 P34972 3/20 0.38
MOGAT2 Q3SYC2 2/20 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
SCHEMBL323335 0.92 MEN1 (0.40) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL15153644 0.89 MEN1 (0.46) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL327036 0.86 MEN1 (0.45) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL323965 0.86 MEN1 (0.41) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL15153668 0.86 MEN1 (0.45) DRD3MEN1KMT2ACNR2
Hydrochloric Acid SCHEMBL323258 0.85 MEN1 (0.46) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL322774 0.85 DRD3 (0.36) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL1438105 0.84 DRD3 (0.39) DRD3MEN1KMT2ACNR2
SCHEMBL1437918 0.84 DRD3 (0.39) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL1437920 0.84 DRD3 (0.39) DRD3MEN1KMT2ACNR2MOGAT2

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-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US disclosed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US disclosed
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 EP disclosed
US-9227960-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2016-01-05 US disclosed
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2015-07-09 US disclosed
US-9029371-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2015-05-12 US disclosed
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 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-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 DRD3 233/4885MEN1 559/4885KMT2A 2525/4885
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 DRD3 245/4885MEN1 512/4885KMT2A 2113/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 DRD3 1217/4885MEN1 1150/4885KMT2A 2862/4885

“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.