SCHEMBL323158

SCHEMBL323158

O=C(O)CCN1CCOC(c2ccc(Oc3cccnc3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX3 P56373 2/20 0.42
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
S1PR1 P21453 1/20 0.38

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 SCHEMBL323799 0.99 CNR2 (0.51) CNR2MEN1KMT2AP2RX3DRD4
SCHEMBL326744 0.90 CNR2 (0.63) CNR2MEN1KMT2ADRD3S1PR1
Hydrochloric Acid SCHEMBL323528 0.88 CNR2 (0.62) CNR2MEN1KMT2ADRD3S1PR1
SCHEMBL323677 0.88 CNR2 (0.45) CNR2MEN1KMT2ADRD4DRD2
SCHEMBL324272 0.84 CNR2 (0.57) CNR2MEN1KMT2ADRD3FFAR4
Hydrochloric Acid SCHEMBL324170 0.84 CNR2 (0.48) CNR2MEN1KMT2AP2RX3DRD3
Hydrochloric Acid SCHEMBL324384 0.83 CNR2 (0.56) CNR2MEN1KMT2ADRD3FFAR4
SCHEMBL325240 0.83 CNR2 (0.52) CNR2MEN1KMT2ADRD3
SCHEMBL323031 0.83 CNR2 (0.52) CNR2MEN1KMT2ADRD2DRD3
SCHEMBL323864 0.83 MEN1 (0.58) CNR2MEN1KMT2ADRD3S1PR1

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.