SCHEMBL321600

SCHEMBL321600

CC(C)(C)OC(=O)CCN1CCc2nc(-c3ccc(OCc4ccccc4F)cc3)sc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.52
S1PR1 P21453 4/20 0.49
S1PR3 Q99500 3/20 0.49
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
BTK Q06187 1/20 0.40
P2RX3 P56373 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
FFAR1 O14842 2/20 0.39
DRD3 P35462 1/20 0.38
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL320912 0.88 S1PR5 (0.65) S1PR5S1PR1S1PR3RAB9ANPC1
SCHEMBL320659 0.78 S1PR5 (0.79) S1PR5S1PR1S1PR3PDCD1CD274
SCHEMBL18550449 0.77 S1PR5 (0.52) S1PR5S1PR1S1PR3PDCD1CD274
SCHEMBL18550450 0.75 S1PR5 (0.46) S1PR5S1PR1S1PR3PDCD1CD274
SCHEMBL15153928 0.74 S1PR5 (0.79) S1PR5S1PR1S1PR3RAB9ANPC1
SCHEMBL18550203 0.73 S1PR5 (0.43) S1PR5S1PR1S1PR3PDCD1CD274
SCHEMBL18550416 0.73 S1PR5 (0.51) S1PR5S1PR1S1PR3
SCHEMBL18549790 0.73 S1PR5 (0.49) S1PR5S1PR1S1PR3RAB9AMAPT
SCHEMBL18550311 0.73 S1PR5 (0.47) S1PR5S1PR1S1PR3PDCD1CD274
SCHEMBL18549823 0.72 S1PR5 (0.49) S1PR5S1PR1S1PR3FFAR1KMT2A

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.