SCHEMBL324873

SCHEMBL324873

COc1ccccc1Oc1ccc(C2CN(CCC(=O)OC(C)(C)C)CCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DRD3 P35462 6/20 0.41
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1B P49286 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 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
SCHEMBL15153764 0.91 CNR2 (0.44) CNR2KMT2AMEN1DRD3
SCHEMBL324581 0.90 MEN1 (0.44) CNR2KMT2AMEN1DRD3DRD2
SCHEMBL324063 0.90 MEN1 (0.47) CNR2KMT2AMEN1DRD3
SCHEMBL323393 0.89 CNR2 (0.56) CNR2KMT2AMEN1DRD3ALDH1A1
SCHEMBL323293 0.89 CNR2 (0.46) CNR2KMT2AMEN1DRD3MAPK1
SCHEMBL324381 0.88 CNR2 (0.50) CNR2KMT2AMEN1DRD3ALDH1A1
SCHEMBL323893 0.88 MEN1 (0.44) CNR2KMT2AMEN1DRD3DRD2
SCHEMBL15153593 0.88 CNR2 (0.42) CNR2KMT2AMEN1DRD3
Hydrochloric Acid SCHEMBL323439 0.87 KMT2A (0.50) CNR2KMT2AMEN1DRD3ALDH1A1
SCHEMBL1438845 0.87 HRH3 (0.41) CNR2KMT2AMEN1DRD3ALDH1A1

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