SCHEMBL321633

SCHEMBL321633

CC(CN1CCc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc2C1)C(=O)OC(C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 12/20 0.80
S1PR1 P21453 9/20 0.80
S1PR3 Q99500 7/20 0.80
HRH3 Q9Y5N1 2/20 0.38
CMKLR1 Q99788 1/20 0.36
BCL2 P10415 1/20 0.36
CARM1 Q86X55 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL320491 0.89 S1PR5 (1.00) S1PR5S1PR1S1PR3HRH3PRMT5
SCHEMBL321185 0.83 S1PR1 (0.64) S1PR5S1PR1S1PR3NPC1ALDH1A1
SCHEMBL322595 0.74 S1PR5 (0.64) S1PR5S1PR1S1PR3HIF1APRMT5
SCHEMBL321390 0.74 S1PR5 (0.81) S1PR5S1PR1S1PR3HRH3HIF1A
SCHEMBL18550122 0.74 S1PR5 (0.58) S1PR5S1PR1S1PR3NPC1RAB9A
SCHEMBL15909566 0.73 S1PR5 (1.00) S1PR5S1PR1S1PR3HRH3ALDH1A1
SCHEMBL15164301 0.73 S1PR5 (0.69) S1PR5S1PR1S1PR3PRMT5WDR77
SCHEMBL18550304 0.72 S1PR5 (0.69) S1PR5S1PR1S1PR3HRH3NPC1
SCHEMBL320659 0.69 S1PR5 (0.79) S1PR5S1PR1S1PR3NPC1RAB9A
SCHEMBL321039 0.69 S1PR5 (1.00) S1PR5S1PR1S1PR3HRH3

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.