SCHEMBL1437836

SCHEMBL1437836

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(OCc3ccccc3C(F)(F)F)c(Cl)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
CNR2 P34972 2/20 0.38
DRD3 P35462 6/20 0.38
ATM Q13315 1/20 0.38
SLC6A4 P31645 1/20 0.37
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL1437687 0.91 FFAR1 (0.47) FFAR4FFAR1CNR2DRD3ATM
SCHEMBL1438084 0.91 FFAR1 (0.39) FFAR4FFAR1DRD3ATMS1PR1
SCHEMBL1438506 0.90 FFAR4 (0.44) FFAR4FFAR1CNR2DRD3ATM
Hydrochloric Acid SCHEMBL1438712 0.90 FFAR4 (0.44) FFAR4FFAR1CNR2DRD3ATM
SCHEMBL1439437 0.87 MAOB (0.45) CNR2DRD3MEN1KMT2AGPBAR1
SCHEMBL12003732 0.85 DRD3 (0.43) DRD3S1PR1S1PR5MEN1KMT2A
SCHEMBL1438776 0.85 DRD3 (0.40) DRD3S1PR1S1PR5
SCHEMBL1438959 0.83 DRD3 (0.41) DRD3S1PR1S1PR5
SCHEMBL1437849 0.83 CNR2 (0.54) CNR2ATMSLC6A4S1PR1S1PR5
SCHEMBL1437957 0.83 P2RX7 (0.41) CNR2DRD3MEN1KMT2A

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-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP 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-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 (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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 FFAR4 457/4885FFAR1 544/4885CNR2 9/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 FFAR4 447/4885FFAR1 530/4885CNR2 10/4885

“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.