SCHEMBL327220

SCHEMBL327220

Cc1cccc(Oc2ccc(C3CN(CC(C)C(=O)O)CCO3)cc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
FFAR1 O14842 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD3 P35462 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CRHR2 Q13324 1/20 0.37
MOGAT2 Q3SYC2 2/20 0.36
MGAT2 Q10469 1/20 0.35
PPARG P37231 1/20 0.35
BTK Q06187 1/20 0.34

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 SCHEMBL15153690 0.99 CNR2 (0.44) CNR2FFAR1MEN1KMT2ADRD3
SCHEMBL322501 0.88 CNR2 (0.39) CNR2FFAR1MEN1KMT2ADRD3
SCHEMBL322710 0.88 CNR2 (0.47) CNR2FFAR1DRD3MOGAT2MGAT2
SCHEMBL324786 0.85 CNR2 (0.46) CNR2FFAR1MEN1KMT2ADRD3
Hydrochloric Acid SCHEMBL324658 0.84 MEN1 (0.46) CNR2FFAR1MEN1KMT2ADRD3
SCHEMBL323177 0.83 MEN1 (0.50) CNR2FFAR1MEN1KMT2ADRD3
Hydrochloric Acid SCHEMBL323100 0.82 MEN1 (0.52) CNR2FFAR1MEN1KMT2ADRD3
SCHEMBL323353 0.81 FFAR1 (0.43) CNR2FFAR1DRD3ALDH1A1POLB
Hydrochloric Acid SCHEMBL324066 0.80 FFAR1 (0.42) CNR2FFAR1MEN1KMT2ADRD3
SCHEMBL322914 0.80 CNR2 (0.41) CNR2FFAR1MEN1KMT2ADRD3

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 9/4885FFAR1 120/4885MEN1 559/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CNR2 25/4885FFAR1 57/4885MEN1 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.