SCHEMBL1438554

SCHEMBL1438554

CCCCOc1ccc(COc2ccc(C3CN(CCC(=O)O)CCO3)c(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PSEN1 P49768 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
FFAR1 O14842 2/20 0.42
THRA P10827 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
S1PR1 P21453 2/20 0.40
DRD3 P35462 2/20 0.40
S1PR5 Q9H228 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 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
SCHEMBL1438239 0.94 HRH3 (0.45) THRBKMT2AGRIN1GRIN2BFFAR1
SCHEMBL1438100 0.92 EGFR (0.48) ALDH1A1GRIN1GRIN2BFFAR1KDM2B
SCHEMBL1438600 0.92 HRH3 (0.43) GRIN1GRIN2BFFAR1KDM2BHRH3
SCHEMBL1438821 0.91 HRH3 (0.42) FFAR1KDM2BHRH3S1PR1S1PR5
SCHEMBL1437924 0.90 FFAR1 (0.44) GRIN1GRIN2BFFAR1HRH3S1PR1
SCHEMBL1438702 0.90 S1PR5 (0.48) ALDH1A1GRIN1GRIN2BFFAR1KDM2B
SCHEMBL1437865 0.90 PSEN1 (0.41) THRBALDH1A1LMNAMAPTKMT2A
SCHEMBL1438932 0.89 HRH3 (0.44) KMT2AKDM2BHRH3S1PR1S1PR5
SCHEMBL1438072 0.89 GRIN1 (0.45) LMNAKMT2AGRIN1GRIN2BFFAR1
SCHEMBL1439119 0.89 FFAR1 (0.43) LMNAKMT2AFFAR1KDM2BHRH3

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 THRB 345/4885ALDH1A1 3506/4885LMNA 1954/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 THRB 308/4885ALDH1A1 3626/4885LMNA 1879/4885

“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.