SCHEMBL321323

SCHEMBL321323

CC(C)(C)OC(=O)CCN1CCc2oc(-c3ccc(Br)cc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.49
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 4/20 0.49
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 3/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
PRKDC P78527 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
PDE4B Q07343 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
SCHEMBL321254 0.94 S1PR5 (0.51) S1PR5S1PR1S1PR3KDM4EMEN1
SCHEMBL322179 0.91 S1PR5 (0.52) S1PR5S1PR1S1PR3MAPTDRD2
SCHEMBL321077 0.85 S1PR5 (0.54) S1PR5S1PR1S1PR3DRD2PRMT5
SCHEMBL320659 0.81 S1PR5 (0.79) S1PR5S1PR1S1PR3
SCHEMBL320686 0.80 ESR2 (0.50) S1PR5S1PR1S1PR3MAPTABCB1
SCHEMBL15153928 0.76 S1PR5 (0.79) S1PR5S1PR1S1PR3
SCHEMBL16126891 0.73 ABHD6 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15164305 0.73 PDE4B (0.39) S1PR5S1PR1S1PR3KDM4EMEN1
SCHEMBL10737296 0.72 PDE4B (0.48) S1PR5S1PR1S1PR3ABCB1PDE4B
SCHEMBL12706827 0.72 MEN1 (0.39) S1PR1S1PR3MEN1ALDH1A1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48301-E1 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2020-11-10 US disclosed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-9096612-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2015-08-04 US disclosed
US-8796262-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2014-08-05 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
EP-2590980-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004373-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 S1PR5 1/4885S1PR1 2/4885S1PR3 3/4885
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 S1PR5 5/4885S1PR1 2/4885S1PR3 1/4885
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 S1PR5 1/4885S1PR1 2/4885S1PR3 3/4885

“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.