SCHEMBL1437629

SCHEMBL1437629

Clc1cc(OCc2c(Cl)cccc2Cl)ccc1C1CN(Cc2ccccc2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.51
DRD4 P21917 10/20 0.47
S1PR1 P21453 1/20 0.44
PRKX P51817 1/20 0.44
ACVR1 Q04771 1/20 0.44
S1PR5 Q9H228 1/20 0.44
MOGAT2 Q3SYC2 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 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
SCHEMBL1436354 0.85 DRD4 (0.56) CNR2DRD4DRD2DRD3
SCHEMBL1438629 0.84 S1PR5 (0.54) S1PR1S1PR5
Hydrochloric Acid SCHEMBL12003385 0.83 S1PR5 (0.54) S1PR1S1PR5
SCHEMBL1437906 0.81 DRD3 (0.54) CNR2DRD4MOGAT2DRD2DRD3
SCHEMBL1437952 0.81 CNR2 (0.53) CNR2DRD4S1PR1S1PR5DRD2
SCHEMBL1438040 0.80 CNR2 (0.53) CNR2DRD4S1PR1S1PR5
SCHEMBL15156597 0.79 DRD4 (0.54) CNR2DRD4MOGAT2DRD2DRD3
SCHEMBL12003913 0.78 S1PR5 (0.42) S1PR1S1PR5DRD3
SCHEMBL324339 0.77 CNR2 (0.65) CNR2DRD4DRD3
SCHEMBL1438324 0.76 S1PR5 (0.51) S1PR1S1PR5

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 7 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
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 CNR2 9/4885DRD4 382/4885S1PR1 2/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 10/4885DRD4 437/4885S1PR1 2/4885

“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.