SCHEMBL764388

SCHEMBL764388

CC(=O)O[C@H](C)CCCCn1ncc(=O)n(CCCC[C@@H](C)O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.32
▸ ADRA1A P35348 3/20 0.32
▸ ADRA1B P35368 3/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ HRH2 P25021 2/20 0.32
▸ HTR1B P28222 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA1D P25100 2/20 0.31
▸ ADRA2B P18089 1/20 0.30
▸ HTR1D P28221 1/20 0.30

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
SCHEMBL764366 1.00 HTR1A (0.32) HTR1AADRA1AADRA1BADRA2AADRA2C
SCHEMBL764363 0.95 HTR1A (0.34) HTR1AADRA1AADRA1BADRA2AADRA2C
SCHEMBL15423260 0.92 HTR1A (0.32) HTR1AADRA1AADRA1BADRA2AADRA2C
SCHEMBL765784 0.88 HTR1A (0.37) HTR1AADRA1AADRA1BADRA2AADRA2C
SCHEMBL15423261 0.84 HTR1A (0.35) HTR1AADRA1AADRA1BADRA2AADRA2C
SCHEMBL10046534 0.82 PTGER1 (0.38) HTR1AADRA1AADRA1BADRA1D
SCHEMBL6284279 0.71 HPGD (0.42) —
SCHEMBL6284276 0.71 HPGD (0.42) —
SCHEMBL765580 0.70 CNR1 (0.31) —
SCHEMBL764377 0.70 CNR1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 — — US disclosed
US-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 — — US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 — — US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 — — US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 — — US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 — — US disclosed
EP-2325169-A9 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES University Of Virginia Patent Foundation (US) 2012-03-21 — — EP disclosed
EP-2325169-A2 Lisofylline analogues and their pharmeacuetical uses University Of Virginia Patent Foundation (US) 2011-05-25 — — EP disclosed
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINA PATENT FOUNDATION 2008-06-19 — — US disclosed
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINA PATENT FOUNDATION 2008-06-19 — — US disclosed
WO-2007027719-A2 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-03-08 — — 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 (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-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI HTR1A 731/4885ADRA1A 3475/4885ADRA1B 3429/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI HTR1A 731/4885ADRA1A 3475/4885ADRA1B 3429/4885

“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.

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