SCHEMBL323685

SCHEMBL323685

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3cc(F)cc(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD3 P35462 13/20 0.40
DRD2 P14416 9/20 0.39
CNR2 P34972 1/20 0.39
KCNH2 Q12809 2/20 0.39
CHRM1 P11229 1/20 0.39
TACR1 P25103 2/20 0.36
S1PR2 O95136 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
SCHEMBL323657 0.95 CNR2 (0.41) MEN1KMT2ADRD3DRD2CNR2
SCHEMBL322508 0.93 MEN1 (0.44) MEN1KMT2ADRD3DRD2CNR2
SCHEMBL323765 0.90 DRD3 (0.46) DRD3DRD2CNR2KCNH2CHRM1
SCHEMBL15153611 0.89 MEN1 (0.45) MEN1KMT2ADRD3DRD2CNR2
SCHEMBL15153711 0.89 CNR2 (0.44) MEN1KMT2ADRD3DRD2CNR2
Hydrochloric Acid SCHEMBL323364 0.89 MEN1 (0.46) MEN1KMT2ADRD3DRD2CNR2
SCHEMBL322899 0.88 MEN1 (0.51) MEN1KMT2ADRD3DRD2CNR2
SCHEMBL323319 0.87 CNR2 (0.45) MEN1KMT2ADRD3DRD2CNR2
SCHEMBL15153641 0.86 DRD3 (0.45) MEN1KMT2ADRD3DRD2CNR2
SCHEMBL324118 0.85 CNR2 (0.43) MEN1KMT2ADRD3DRD2CNR2

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 2525/4885DRD3 233/4885
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MEN1 512/4885KMT2A 2113/4885DRD3 245/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 MEN1 1150/4885KMT2A 2862/4885DRD3 1217/4885

“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.