SCHEMBL322495

SCHEMBL322495

O=C(O)CCN1CCOC(c2ccc(Oc3cncc4ccccc34)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.38
S1PR1 P21453 1/20 0.38
DRD3 P35462 4/20 0.36
RXRB P28702 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GRIN2B Q13224 1/20 0.35

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 SCHEMBL323659 0.99 CNR2 (0.45) CNR2MEN1KMT2AKDM4CS1PR1
SCHEMBL326881 0.89 SUCNR1 (0.44) CNR2MEN1KMT2AKDM4CS1PR1
SCHEMBL324310 0.89 CNR2 (0.40) CNR2MEN1KMT2AKDM4CDRD3
SCHEMBL324784 0.89 CNR2 (0.48) CNR2MEN1KMT2AS1PR1DRD3
Hydrochloric Acid SCHEMBL323533 0.89 SUCNR1 (0.44) CNR2MEN1KMT2AKDM4CS1PR1
Hydrochloric Acid SCHEMBL324053 0.88 MEN1 (0.48) CNR2MEN1KMT2AS1PR1DRD3
SCHEMBL326744 0.83 CNR2 (0.63) CNR2MEN1KMT2AS1PR1DRD3
Hydrochloric Acid SCHEMBL323528 0.82 CNR2 (0.62) CNR2MEN1KMT2AS1PR1DRD3
SCHEMBL322825 0.82 CNR2 (0.54) CNR2MEN1KMT2AS1PR1DRD3
SCHEMBL324381 0.81 CNR2 (0.50) CNR2MEN1KMT2AS1PR1DRD3

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.