SCHEMBL1439435

SCHEMBL1439435

FC(F)(F)c1ccccc1COc1ccc(C2CNCCO2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.52
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL1438257 0.80 DRD2 (0.51) HTR1ADRD2DRD3
SCHEMBL1437849 0.78 CNR2 (0.54) SLC6A4
SCHEMBL1438112 0.78 DRD2 (0.46) HTR1ADRD2DRD3
SCHEMBL1438506 0.75 FFAR4 (0.44) SLC6A4DRD3
Hydrochloric Acid SCHEMBL1438712 0.74 FFAR4 (0.44) SLC6A4DRD3
SCHEMBL1437836 0.72 FFAR4 (0.39) SLC6A4DRD3
SCHEMBL324054 0.72 DRD2 (0.51) HTR1ADRD2DRD3
SCHEMBL2748596 0.71 MRGPRX4 (0.52) SLC6A4
SCHEMBL1690560 0.70 SLC6A2 (0.59) SLC6A4DRD2DRD3
SCHEMBL1690807 0.70 SLC6A2 (0.59) SLC6A4DRD2DRD3

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 8 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
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 SLC6A4 419/4885HTR1A 108/4885DRD2 430/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SLC6A4 436/4885HTR1A 114/4885DRD2 520/4885

“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.