SCHEMBL1437849

SCHEMBL1437849

FC(F)(F)c1ccccc1COc1ccc(C2CN(Cc3ccccc3)CCO2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.54
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR5 Q9H228 2/20 0.43
DRD4 P21917 5/20 0.43
S1PR4 O95977 1/20 0.42
S1PR3 Q99500 1/20 0.42
SLC6A4 P31645 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL1438506 0.87 FFAR4 (0.44) CNR2ATMS1PR1S1PR5S1PR4
Hydrochloric Acid SCHEMBL1438712 0.86 FFAR4 (0.44) CNR2ATMS1PR1S1PR5S1PR4
SCHEMBL1437877 0.85 CNR2 (0.57) CNR2S1PR1S1PR5DRD4S1PR4
SCHEMBL1438040 0.83 CNR2 (0.53) CNR2S1PR1S1PR5DRD4
SCHEMBL1437836 0.83 FFAR4 (0.39) CNR2ATMS1PR1S1PR5S1PR4
SCHEMBL1437594 0.81 CNR2 (0.48) CNR2S1PR1S1PR5DRD4
SCHEMBL1439435 0.78 SLC6A4 (0.52) SLC6A4
SCHEMBL323471 0.77 CNR2 (0.55) CNR2DRD4
SCHEMBL1438206 0.77 FFAR4 (0.55) CNR2KDM4EALDH1A1ATMS1PR1
SCHEMBL1438917 0.76 FFAR4 (0.46) CNR2ALDH1A1S1PR1S1PR5S1PR4

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 8 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
CN-102548976-A (Thio) morpholine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2012-07-04 CN 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 CNR2 9/4885KDM4E 716/4885ALDH1A1 3506/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 10/4885KDM4E 759/4885ALDH1A1 3626/4885

“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.