SCHEMBL322899

SCHEMBL322899

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3ccc(F)cc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR2 P34972 1/20 0.45
DRD3 P35462 11/20 0.43
MOGAT2 Q3SYC2 2/20 0.42
MGAT2 Q10469 1/20 0.41
RXRB P28702 1/20 0.41
GRIN2B Q13224 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 1/20 0.40
DRD2 P14416 1/20 0.37

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
SCHEMBL322508 0.93 MEN1 (0.44) MEN1KMT2ACNR2DRD3MOGAT2
SCHEMBL1437672 0.91 KMT2A (0.51) MEN1KMT2ADRD3MOGAT2MGAT2
SCHEMBL323393 0.91 CNR2 (0.56) MEN1KMT2ACNR2DRD3RXRB
SCHEMBL323391 0.91 CNR2 (0.46) MEN1KMT2ACNR2DRD3RXRB
SCHEMBL323293 0.91 CNR2 (0.46) MEN1KMT2ACNR2DRD3
SCHEMBL323319 0.91 CNR2 (0.45) MEN1KMT2ACNR2DRD3KCNH2
SCHEMBL323765 0.90 DRD3 (0.46) CNR2DRD3CHRM1KCNH2DRD2
SCHEMBL324393 0.90 CNR2 (0.43) MEN1KMT2ACNR2DRD3DRD2
SCHEMBL323388 0.90 DRD3 (0.46) MEN1KMT2ACNR2DRD3MOGAT2
SCHEMBL322296 0.90 MEN1 (0.44) MEN1KMT2ACNR2DRD3MOGAT2

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 MEN1 559/4885KMT2A 2525/4885CNR2 9/4885
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MEN1 512/4885KMT2A 2113/4885CNR2 9/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 MEN1 1150/4885KMT2A 2862/4885CNR2 25/4885

“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.