SCHEMBL323461

SCHEMBL323461

Cc1cccc(C)c1Nc1ccc(C2CN(CCC(=O)O)CCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
DRD3 P35462 9/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 1/20 0.39
OPRD1 P41143 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 SCHEMBL323742 0.99 CNR2 (0.47) CNR2DRD3MEN1KMT2AOPRM1
SCHEMBL324647 0.88 CNR2 (0.51) CNR2DRD3MEN1KMT2A
SCHEMBL15153713 0.87 DRD3 (0.42) CNR2DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL323822 0.87 CNR2 (0.50) CNR2DRD3MEN1KMT2A
SCHEMBL323399 0.83 MEN1 (0.51) DRD3MEN1KMT2AOPRM1OPRD1
Hydrochloric Acid SCHEMBL323197 0.82 KMT2A (0.53) DRD3MEN1KMT2A
SCHEMBL324470 0.82 CNR2 (0.69) CNR2
SCHEMBL324300 0.81 MEN1 (0.45) CNR2DRD3MEN1KMT2AOPRM1
SCHEMBL324162 0.81 CNR2 (0.48) CNR2DRD3MEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL323172 0.80 KMT2A (0.46) CNR2DRD3MEN1KMT2AOPRM1

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 8 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
CN-103080096-A Biaryl (thio) morpholine derivatives as S1P modulators ABBVIE BV 2013-05-01 CN 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.