SCHEMBL324164

SCHEMBL324164

O=C(O)CCN1CCOC(c2ccc(Oc3cccc(Cl)c3Cl)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
S1PR5 Q9H228 3/20 0.39
DRD3 P35462 3/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
S1PR1 P21453 3/20 0.39
RXRB P28702 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL323790 0.99 CNR2 (0.47) CNR2KMT2AMEN1S1PR5DRD3
SCHEMBL324364 0.89 CNR2 (0.51) CNR2KMT2AMEN1S1PR5DRD3
Hydrochloric Acid SCHEMBL322427 0.88 CNR2 (0.50) CNR2KMT2AMEN1S1PR5DRD3
SCHEMBL323649 0.88 CNR2 (0.42) CNR2KMT2AMEN1DRD3CARM1
SCHEMBL326723 0.85 MEN1 (0.50) CNR2KMT2AMEN1S1PR5DRD3
SCHEMBL1438583 0.85 S1PR5 (0.53) CNR2KMT2AMEN1S1PR5S1PR1
SCHEMBL324786 0.84 CNR2 (0.46) CNR2KMT2AMEN1DRD3S1PR1
Hydrochloric Acid SCHEMBL323270 0.84 MEN1 (0.52) CNR2KMT2AMEN1S1PR5DRD3
SCHEMBL324784 0.84 CNR2 (0.48) CNR2KMT2AMEN1DRD3S1PR1
SCHEMBL326744 0.84 CNR2 (0.63) CNR2KMT2AMEN1DRD3S1PR1

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