SCHEMBL323876

SCHEMBL323876

Cc1ccc(Oc2ccc(C3CN(CCC(=O)O)CCO3)cc2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
DRD3 P35462 9/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.39
DRD4 P21917 1/20 0.38
FKBP1A P62942 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36

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 SCHEMBL322789 0.99 CNR2 (0.47) CNR2DRD3MEN1KMT2AFFAR1
SCHEMBL327076 0.92 CNR2 (0.49) CNR2DRD3MEN1KMT2A
SCHEMBL324036 0.91 DRD3 (0.47) CNR2DRD3MEN1KMT2AS1PR1
Hydrochloric Acid SCHEMBL322890 0.91 CNR2 (0.48) CNR2DRD3MEN1KMT2AS1PR1
SCHEMBL327062 0.91 CNR2 (0.48) CNR2DRD3MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL322795 0.90 CNR2 (0.47) CNR2DRD3MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL323575 0.90 MEN1 (0.46) CNR2DRD3MEN1KMT2AS1PR1
SCHEMBL323031 0.89 CNR2 (0.52) CNR2DRD3MEN1KMT2AFFAR1
SCHEMBL323857 0.88 CNR2 (0.49) CNR2DRD3MEN1KMT2AFFAR1
Hydrochloric Acid SCHEMBL323692 0.88 CNR2 (0.51) CNR2DRD3MEN1KMT2AFFAR1

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 9/4885DRD3 233/4885MEN1 559/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CNR2 25/4885DRD3 1217/4885MEN1 1150/4885

“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.