SCHEMBL323371

SCHEMBL323371

O=C1COC(c2ccc(OCc3ccccc3)cc2)CN1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.59
MMP13 P45452 1/20 0.46
TNKS2 Q9H2K2 2/20 0.46
MAOA P21397 3/20 0.45
TP53 P04637 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
KCNH2 Q12809 1/20 0.44
GSTP1 P09211 1/20 0.43

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
SCHEMBL2297346 1.00 MAOB (0.59) MAOBMMP13TNKS2MAOATP53
SCHEMBL2299358 1.00 MAOB (0.59) MAOBMMP13TNKS2MAOATP53
SCHEMBL19586198 0.82 MAOB (0.55) MAOBMMP13TNKS2MAOATP53
SCHEMBL7914440 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL4485789 0.80 PRKAB2 (0.47) MAOB
SCHEMBL4485781 0.80 PRKAB2 (0.47) MAOB
SCHEMBL28763805 0.79 MAOB (0.57) MAOB
SCHEMBL8481310 0.77 LMNA (0.55) MAOBMAOATP53
SCHEMBL8483583 0.77 LMNA (0.55) MAOBMAOATP53
SCHEMBL3004785 0.77 LMNA (0.55) MAOBMAOATP53

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 40 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-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 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
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 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
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 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-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MAOB 1842/4885MMP13 4360/4885TNKS2 4297/4885
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MAOB 1390/4885MMP13 4479/4885TNKS2 4177/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 MAOB 3022/4885MMP13 3988/4885TNKS2 911/4885

“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.