SCHEMBL323231

SCHEMBL323231

O=C(O)CCN1CCOC(c2ccc(Oc3c(F)cccc3C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 3/20 0.43
DRD3 P35462 9/20 0.40
DRD2 P14416 4/20 0.37
S1PR5 Q9H228 3/20 0.36
S1PR1 P21453 3/20 0.36
RXRB P28702 1/20 0.36
RIPK1 Q13546 1/20 0.35
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
Hydrochloric Acid SCHEMBL323616 0.99 MEN1 (0.46) MEN1KMT2ACNR2DRD3DRD2
SCHEMBL324121 0.90 MEN1 (0.40) MEN1KMT2ACNR2DRD3DRD2
SCHEMBL323771 0.86 MEN1 (0.48) MEN1KMT2ACNR2DRD3DRD2
Hydrochloric Acid SCHEMBL323308 0.85 KMT2A (0.50) MEN1KMT2ACNR2DRD3DRD2
SCHEMBL326723 0.84 MEN1 (0.50) MEN1KMT2ACNR2DRD3S1PR5
Hydrochloric Acid SCHEMBL323270 0.83 MEN1 (0.52) MEN1KMT2ACNR2DRD3S1PR5
SCHEMBL322995 0.83 MEN1 (0.53) MEN1KMT2ACNR2DRD3S1PR5
SCHEMBL15153702 0.83 MEN1 (0.48) MEN1KMT2ACNR2DRD3S1PR5
SCHEMBL323516 0.83 CNR2 (0.49) MEN1KMT2ACNR2DRD3DRD2
Hydrochloric Acid SCHEMBL323701 0.82 MEN1 (0.55) MEN1KMT2ACNR2DRD3S1PR5

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 7 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 claimed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US claimed
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 EP claimed
US-9029371-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2015-05-12 US claimed
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US claimed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP claimed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.