SCHEMBL1437873

SCHEMBL1437873

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(OCc3c(F)cccc3Cl)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 12/20 0.46
S1PR1 P21453 5/20 0.45
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.38
AR P10275 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL1437870 0.97 S1PR5 (0.42) S1PR5S1PR1HPGDSMN1; SMN2NPSR1
SCHEMBL1438377 0.94 S1PR5 (0.45) S1PR5S1PR1HPGDSMN1; SMN2NPSR1
SCHEMBL1438393 0.92 S1PR5 (0.44) S1PR5S1PR1HPGDSMN1; SMN2NPSR1
SCHEMBL1437850 0.90 HPGD (0.46) S1PR5S1PR1HPGDSMN1; SMN2NPSR1
SCHEMBL12003913 0.89 S1PR5 (0.42) S1PR5S1PR1MEN1KMT2A
SCHEMBL1438467 0.89 S1PR5 (0.57) S1PR5S1PR1HPGDSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL1437811 0.88 S1PR5 (0.57) S1PR5S1PR1HPGDSMN1; SMN2NPSR1
SCHEMBL1437880 0.88 S1PR5 (0.41) S1PR5S1PR1MEN1KMT2A
SCHEMBL1438037 0.87 S1PR5 (0.44) S1PR5S1PR1
SCHEMBL323102 0.87 S1PR5 (0.39) S1PR5MEN1KMT2A

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 S1PR5 5/4885S1PR1 2/4885HPGD 3985/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 S1PR5 5/4885S1PR1 2/4885HPGD 3929/4885

“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.