SCHEMBL1437952

SCHEMBL1437952

Cc1cc(OCc2ccccc2)ccc1C1CN(Cc2ccccc2)CCO1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
DRD4 P21917 13/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1438702 0.86 S1PR5 (0.48) CNR2S1PR1S1PR5GRIN1GRIN2B
SCHEMBL1438100 0.84 EGFR (0.48) S1PR1S1PR5GRIN1GRIN2BALDH1A1
SCHEMBL1438889 0.83 FFAR1 (0.47) S1PR1S1PR5GRIN1GRIN2BALDH1A1
SCHEMBL324339 0.83 CNR2 (0.65) CNR2DRD4DRD3
SCHEMBL15484276 0.82 KDM2B (0.47) CNR2DRD4DRD3S1PR1S1PR5
SCHEMBL1437972 0.82 S1PR1 (0.45) CNR2S1PR1S1PR5GRIN1GRIN2B
SCHEMBL2294401 0.82 CNR2 (0.70) CNR2DRD4S1PR5NPC1TP53
SCHEMBL2294445 0.82 CNR2 (0.70) CNR2DRD4S1PR5NPC1TP53
SCHEMBL322849 0.82 CNR2 (0.70) CNR2DRD4S1PR5NPC1TP53
SCHEMBL1437629 0.81 CNR2 (0.51) CNR2DRD4DRD2DRD3S1PR1

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 9 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
CN-102548976-B (thio) morpholine derivatives as S1P modulators ABBVIE BAHAMAS LTD. (BS) 2015-09-09 CN 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 CNR2 9/4885DRD4 382/4885DRD2 430/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 10/4885DRD4 437/4885DRD2 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.