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SCHEMBL323102

SCHEMBL323102

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3c(Cl)cccc3Cl)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 1/20 0.39
▸ DRD3 P35462 6/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ P2RX7 Q99572 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MOGAT2 Q3SYC2 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ MCOLN1 Q9GZU1 1/20 0.33

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
SCHEMBL323984 0.90 S1PR5 (0.38) S1PR5DRD3DRD2P2RX7MEN1
SCHEMBL323475 0.88 S1PR5 (0.50) S1PR5DRD3MEN1KMT2ACNR2
SCHEMBL1437870 0.88 S1PR5 (0.42) S1PR5
Hydrochloric Acid SCHEMBL323636 0.88 S1PR5 (0.49) S1PR5DRD3MEN1KMT2ACNR2
SCHEMBL1437873 0.87 S1PR5 (0.46) S1PR5MEN1KMT2A
SCHEMBL323972 0.87 CNR2 (0.44) S1PR5DRD3MEN1KMT2ACNR2
SCHEMBL323766 0.82 DRD3 (0.45) DRD3DRD2MEN1KMT2A
SCHEMBL15153633 0.81 DRD3 (0.42) DRD3MEN1KMT2ACNR2
SCHEMBL1438377 0.80 S1PR5 (0.45) S1PR5MEN1KMT2A
SCHEMBL12003913 0.80 S1PR5 (0.42) S1PR5DRD3MEN1KMT2A

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 S1PR5 5/4885DRD3 233/4885DRD2 286/4885
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 S1PR5 5/4885DRD3 245/4885DRD2 313/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 S1PR5 4/4885DRD3 1217/4885DRD2 1096/4885

“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.