SCHEMBL322183

SCHEMBL322183

O=C1COC(c2ccc(Br)cc2)CN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.45
RORC P51449 3/20 0.43
MDM2 Q00987 3/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
MEN1 O00255 1/20 0.40
HSD11B1 P28845 1/20 0.39
CNR1 P21554 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
DPP4 P27487 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
SCHEMBL2293186 1.00 HPGD (0.48) HPGDTSHRKMT2ARORCMDM2
SCHEMBL2298775 1.00 HPGD (0.48) HPGDTSHRKMT2ARORCMDM2
SCHEMBL2295192 0.88 HPGD (0.49) HPGDTSHRKMT2AMDM2PDE4A
SCHEMBL2294655 0.88 HPGD (0.49) HPGDTSHRKMT2AMDM2PDE4A
SCHEMBL7878325 0.87 L3MBTL1 (0.42) HPGDTSHRKMT2ARORCMDM2
SCHEMBL2291969 0.87 MDM2 (0.44) HPGDKMT2AMDM2MEN1NPC1
SCHEMBL2298047 0.87 MDM2 (0.44) HPGDKMT2AMDM2MEN1NPC1
SCHEMBL25184925 0.87 HPGD (0.48) HPGDTSHRKMT2APDE4APDE4B
SCHEMBL13472293 0.87 HPGD (0.48) HPGDTSHRKMT2APDE4APDE4B
SCHEMBL2292500 0.87 HPGD (0.48) HPGDTSHRKMT2APDE4APDE4B

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 56 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-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9227960-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2016-01-05 US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 US disclosed
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI-AVENTIS (FR) 2011-01-06 US disclosed
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI-AVENTIS (FR) 2011-01-06 US disclosed
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI-AVENTIS (FR) 2011-01-06 US disclosed
EP-2197877-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR Sanofi-Aventis (FR) 2010-06-23 EP disclosed
EP-2193129-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-06-09 EP disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 EP disclosed
WO-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed
WO-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed
WO-2009035159-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 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-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MAPT, PSEN2, PSEN1 HPGD 3756/4885TSHR 4482/4885KMT2A 842/4885
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 HPGD 1666/4885TSHR 4211/4885KMT2A 2464/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 HPGD 3344/4885TSHR 269/4885KMT2A 2862/4885

“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.