SCHEMBL323475

SCHEMBL323475

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 11/20 0.50
S1PR1 P21453 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.38
DRD3 P35462 4/20 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
Hydrochloric Acid SCHEMBL323636 0.99 S1PR5 (0.49) S1PR5S1PR1MEN1KMT2ACNR2
SCHEMBL323102 0.88 S1PR5 (0.39) S1PR5MEN1KMT2ACNR2DRD3
SCHEMBL324919 0.88 S1PR5 (0.48) S1PR5S1PR1MEN1KMT2ACNR2
Hydrochloric Acid SCHEMBL323974 0.87 S1PR5 (0.47) S1PR5S1PR1MEN1KMT2ACNR2
SCHEMBL1438459 0.87 S1PR5 (0.52) S1PR5S1PR1
Hydrochloric Acid SCHEMBL1438101 0.86 S1PR5 (0.53) S1PR5S1PR1
SCHEMBL1438467 0.85 S1PR5 (0.57) S1PR5S1PR1
SCHEMBL324364 0.85 CNR2 (0.51) S1PR5S1PR1MEN1KMT2ACNR2
Hydrochloric Acid SCHEMBL1437811 0.85 S1PR5 (0.57) S1PR5S1PR1
Hydrochloric Acid SCHEMBL322427 0.84 CNR2 (0.50) S1PR5S1PR1MEN1KMT2ACNR2

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 S1PR5 5/4885S1PR1 2/4885MEN1 559/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 S1PR5 4/4885S1PR1 1/4885MEN1 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.