SCHEMBL322501

SCHEMBL322501

Cc1cccc(Oc2ccc(C3CN(CC(C)C(=O)OC(C)(C)C)CCO3)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
FFAR1 O14842 2/20 0.39
DRD3 P35462 6/20 0.34
BTK Q06187 1/20 0.34
MOGAT2 Q3SYC2 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGAT2 Q10469 1/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2B P41595 1/20 0.33
DRD2 P14416 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL327220 0.88 CNR2 (0.44) CNR2FFAR1DRD3BTKMOGAT2
Hydrochloric Acid SCHEMBL15153690 0.88 CNR2 (0.44) CNR2FFAR1DRD3BTKMOGAT2
SCHEMBL322914 0.85 CNR2 (0.41) CNR2FFAR1DRD3MEN1KMT2A
SCHEMBL322710 0.84 CNR2 (0.47) CNR2FFAR1DRD3MOGAT2MGAT2
SCHEMBL322376 0.83 MEN1 (0.45) CNR2FFAR1DRD3MEN1KMT2A
SCHEMBL322996 0.81 CHRM2 (0.39) CNR2FFAR1DRD3BTKMEN1
SCHEMBL322829 0.81 FFAR1 (0.40) FFAR1BTKPOLB
SCHEMBL12003456 0.79 S1PR5 (0.42) CNR2DRD3MEN1KMT2A
SCHEMBL324786 0.79 CNR2 (0.46) CNR2FFAR1DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL324658 0.78 MEN1 (0.46) CNR2FFAR1DRD3MEN1KMT2A

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 23 patents — showing the first 20. 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-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US disclosed
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
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 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
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-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-9029371-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2015-05-12 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
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 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
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 9/4885FFAR1 120/4885DRD3 233/4885
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 9/4885FFAR1 116/4885DRD3 245/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CNR2 25/4885FFAR1 57/4885DRD3 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.