SCHEMBL1438013

SCHEMBL1438013

Cc1cc(OCc2ccc(F)c(F)c2)ccc1C1CN(CCC(=O)O)CCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.43
FFAR1 O14842 4/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
S1PR5 Q9H228 5/20 0.41
S1PR1 P21453 3/20 0.41
PDGFRA P16234 1/20 0.41
ROCK1 Q13464 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
PRKDC P78527 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
DRD3 P35462 2/20 0.39
ACHE P22303 1/20 0.39
PPARA Q07869 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL1438072 0.92 GRIN1 (0.45) DRD4FFAR1MAOBS1PR5S1PR1
SCHEMBL1438138 0.90 MAOB (0.47) DRD4FFAR1MAOAMAOBS1PR5
SCHEMBL1438932 0.90 HRH3 (0.44) DRD4MAOAMAOBS1PR5S1PR1
SCHEMBL1438821 0.90 HRH3 (0.42) FFAR1MAOAMAOBS1PR5S1PR1
SCHEMBL1438342 0.90 PRKDC (0.40) DRD4MAOAMAOBS1PR5S1PR1
SCHEMBL1438100 0.89 EGFR (0.48) FFAR1S1PR5S1PR1FFAR4
SCHEMBL1437924 0.89 FFAR1 (0.44) DRD4FFAR1S1PR5S1PR1PDGFRA
SCHEMBL1438702 0.89 S1PR5 (0.48) FFAR1S1PR5S1PR1
SCHEMBL1438707 0.89 DRD4 (0.45) DRD4FFAR1S1PR5S1PR1PDGFRA
SCHEMBL1437987 0.89 S1PR1 (0.44) DRD4FFAR1S1PR5S1PR1PDGFRA

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 11 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
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
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 DRD4 382/4885FFAR1 544/4885MAOA 2570/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 DRD4 437/4885FFAR1 530/4885MAOA 2836/4885

“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.