SCHEMBL1438680

SCHEMBL1438680

O=C(O)CCN1CCOC(c2ccc(OCCCCc3ccccc3)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.65
FFAR1 O14842 3/20 0.53
S1PR3 Q99500 5/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR5 Q9H228 3/20 0.47
CYSLTR2 Q9NS75 4/20 0.47
CYSLTR1 Q9Y271 4/20 0.47
CNR2 P34972 1/20 0.47
AKR1B1 P15121 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL1438125 0.97 S1PR1 (0.69) S1PR1FFAR1S1PR3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1438624 0.94 S1PR1 (0.59) S1PR1FFAR1S1PR3MEN1KMT2A
SCHEMBL1437860 0.94 S1PR1 (0.61) S1PR1FFAR1S1PR3MEN1KMT2A
SCHEMBL1439234 0.93 S1PR1 (0.56) S1PR1S1PR3MEN1KMT2ACNR2
Trifluoroacetic Acid SCHEMBL12003495 0.92 S1PR1 (0.62) S1PR1FFAR1S1PR3MEN1KMT2A
SCHEMBL1438800 0.91 S1PR1 (0.56) S1PR1S1PR3MEN1KMT2ACNR2
SCHEMBL1439363 0.90 S1PR1 (0.54) S1PR1S1PR3MEN1KMT2ACNR2
SCHEMBL1438123 0.89 S1PR1 (0.52) S1PR1FFAR1S1PR3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1436939 0.89 S1PR1 (0.56) S1PR1FFAR1S1PR3MEN1KMT2A
SCHEMBL1438859 0.88 S1PR1 (0.57) S1PR1FFAR1S1PR3MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US claimed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP claimed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US claimed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP claimed
CN-102548976-A (Thio) morpholine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2012-07-04 CN claimed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 S1PR1 2/4885FFAR1 530/4885S1PR3 1/4885

“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.