SCHEMBL322825

SCHEMBL322825

O=C(O)CCN1CCOC(c2ccc(Oc3ccc4ccccc4c3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD3 P35462 8/20 0.41
S1PR1 P21453 1/20 0.41
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 1/20 0.39
DRD4 P21917 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
Hydrochloric Acid SCHEMBL324550 0.99 CNR2 (0.53) CNR2MEN1KMT2ADRD3S1PR1
SCHEMBL326744 0.91 CNR2 (0.63) CNR2MEN1KMT2ADRD3S1PR1
Hydrochloric Acid SCHEMBL323528 0.90 CNR2 (0.62) CNR2MEN1KMT2ADRD3S1PR1
SCHEMBL1438217 0.90 S1PR1 (0.49) CNR2MEN1KMT2ADRD3S1PR1
SCHEMBL324272 0.88 CNR2 (0.57) CNR2MEN1KMT2ADRD3S1PR1
SCHEMBL326991 0.88 CNR2 (0.48) CNR2MEN1KMT2ADRD3S1PR1
Hydrochloric Acid SCHEMBL324384 0.87 CNR2 (0.56) CNR2MEN1KMT2ADRD3S1PR1
SCHEMBL15153771 0.87 CNR2 (0.47) CNR2MEN1KMT2ADRD3CYP2D6
Hydrochloric Acid SCHEMBL323400 0.87 CNR2 (0.47) CNR2MEN1KMT2ADRD3S1PR1
SCHEMBL322936 0.86 CNR2 (0.52) CNR2MEN1KMT2ADRD3

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-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US claimed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US claimed
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 EP claimed
US-9029371-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2015-05-12 US claimed
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US claimed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP claimed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO claimed

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-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CNR2 9/4885MEN1 559/4885KMT2A 2525/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CNR2 25/4885MEN1 1150/4885KMT2A 2862/4885

“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.