SCHEMBL1437987

SCHEMBL1437987

Cc1cc(OCc2ccc3ccccc3c2)ccc1C1CN(CCC(=O)O)CCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.44
S1PR5 Q9H228 6/20 0.44
DRD4 P21917 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PLA2G4B P0C869 1/20 0.41
FFAR1 O14842 3/20 0.40
PDGFRA P16234 1/20 0.40
ROCK1 Q13464 1/20 0.40
ALOX5 P09917 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
PRKDC P78527 1/20 0.40
EGFR P00533 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL1438100 0.92 EGFR (0.48) S1PR1S1PR5FFAR1KDM2BEGFR
SCHEMBL1438702 0.92 S1PR5 (0.48) S1PR1S1PR5FFAR1KDM2BEGFR
SCHEMBL1438889 0.91 FFAR1 (0.47) S1PR1S1PR5FFAR1KDM2BEGFR
SCHEMBL1439090 0.90 FFAR1 (0.45) S1PR1S1PR5FFAR1KDM2BEGFR
SCHEMBL1438310 0.90 S1PR1 (0.40) S1PR1S1PR5DRD4MRGPRX4ALOX5
SCHEMBL1437719 0.89 MAOB (0.45) S1PR1S1PR5MRGPRX4FFAR1PRKDC
SCHEMBL1438821 0.89 HRH3 (0.42) S1PR1S1PR5FFAR1PDGFRAROCK1
SCHEMBL1438381 0.89 FFAR1 (0.48) S1PR1S1PR5FFAR1KDM2BEGFR
SCHEMBL1438013 0.89 DRD4 (0.43) S1PR1S1PR5DRD4MRGPRX4FFAR1
SCHEMBL1437924 0.88 FFAR1 (0.44) S1PR1S1PR5DRD4FFAR1PDGFRA

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 13 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
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
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 S1PR1 2/4885S1PR5 5/4885DRD4 382/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 5/4885DRD4 437/4885

“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.