SCHEMBL324310

SCHEMBL324310

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3cncc4ccccc34)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
SSTR4 P31391 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP11B2 P19099 1/20 0.35
DRD3 P35462 6/20 0.35
KDM4C Q9H3R0 1/20 0.34
DRD2 P14416 1/20 0.34
PIK3CD O00329 1/20 0.34
RXRB P28702 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 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
SCHEMBL324521 0.90 KDM4C (0.38) CNR2MEN1KMT2ADRD3KDM4C
SCHEMBL15153593 0.90 CNR2 (0.42) CNR2MEN1KMT2ADRD3
SCHEMBL322495 0.89 CNR2 (0.45) CNR2MEN1KMT2ADRD3KDM4C
Hydrochloric Acid SCHEMBL323659 0.88 CNR2 (0.45) CNR2MEN1KMT2ADRD3KDM4C
SCHEMBL323393 0.84 CNR2 (0.56) CNR2MEN1KMT2ADRD3RXRB
SCHEMBL15153771 0.83 CNR2 (0.47) CNR2MEN1KMT2ADRD3
SCHEMBL324873 0.83 CNR2 (0.44) CNR2MEN1KMT2ADRD3DRD2
SCHEMBL15153764 0.83 CNR2 (0.44) CNR2SSTR4MEN1KMT2ADRD3
SCHEMBL324063 0.83 MEN1 (0.47) CNR2SSTR4MEN1KMT2ADRD3
SCHEMBL323677 0.82 CNR2 (0.45) CNR2MEN1KMT2ADRD3DRD2

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 CNR2 9/4885SSTR4 135/4885MEN1 559/4885
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 9/4885SSTR4 190/4885MEN1 512/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CNR2 25/4885SSTR4 946/4885MEN1 1150/4885

“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.