SCHEMBL12003641

SCHEMBL12003641

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD3 P35462 5/20 0.40
LMNA P02545 1/20 0.37
CNR2 P34972 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL15153668 0.88 MEN1 (0.45) MEN1KMT2ADRD3CNR2DRD2
SCHEMBL326989 0.87 CNR2 (0.44) MEN1KMT2ADRD3CNR2DRD2
SCHEMBL1438560 0.87 MEN1 (0.48) MEN1KMT2ADRD3LMNACNR2
Hydrochloric Acid SCHEMBL12003702 0.86 MEN1 (0.49) MEN1KMT2ADRD3LMNACNR2
SCHEMBL15484417 0.86 DRD3 (0.55) MEN1KMT2ADRD3
SCHEMBL1438219 0.86 ALDH1A1 (0.39) MEN1KMT2ADRD3CNR2CD274
SCHEMBL1438286 0.83 DRD3 (0.39) MEN1KMT2ADRD3LMNACNR2
SCHEMBL1438103 0.83 CNR2 (0.43) MEN1KMT2ADRD3CNR2
SCHEMBL323972 0.83 CNR2 (0.44) MEN1KMT2ADRD3CNR2
SCHEMBL1438422 0.82 CNR2 (0.42) MEN1KMT2ADRD3CNR2

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 5 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

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 MEN1 369/4885KMT2A 2005/4885DRD3 246/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MEN1 380/4885KMT2A 2072/4885DRD3 302/4885

“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.