SCHEMBL320988

SCHEMBL320988

O=C(O)CCCN1CCc2oc(-c3ccc(OCc4ccccc4F)cc3)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 14/20 1.00
S1PR1 P21453 8/20 1.00
S1PR3 Q99500 6/20 1.00
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
FFAR4 Q5NUL3 3/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL322452 0.95 S1PR5 (1.00) S1PR5S1PR1S1PR3BCHEACHE
SCHEMBL320868 0.91 S1PR5 (0.88) S1PR5S1PR1S1PR3
SCHEMBL15153928 0.89 S1PR5 (0.79) S1PR5S1PR1S1PR3BCHEACHE
SCHEMBL320659 0.85 S1PR5 (0.79) S1PR5S1PR1S1PR3BCHEACHE
SCHEMBL15909397 0.78 S1PR5 (1.00) S1PR5S1PR1S1PR3FFAR1
SCHEMBL15164301 0.77 S1PR5 (0.69) S1PR5S1PR1S1PR3
SCHEMBL18550086 0.76 S1PR5 (0.67) S1PR5S1PR1S1PR3FFAR1
SCHEMBL20671099 0.72 S1PR5 (0.56) S1PR5S1PR1S1PR3
SCHEMBL320912 0.71 S1PR5 (0.65) S1PR5S1PR1S1PR3FFAR4FFAR1
SCHEMBL18550351 0.70 S1PR5 (0.60) S1PR5S1PR1S1PR3

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 18 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 claimed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP claimed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US claimed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US claimed
US-9096612-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2015-08-04 US claimed
US-8796262-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2014-08-05 US claimed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US claimed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US claimed
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.