SCHEMBL764351

SCHEMBL764351

C[C@@H](O)CCCCOc1nn(CCCC[C@@H](C)O)c(=O)c2cnncc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PPARG P37231 1/20 0.31
KAT2B Q92831 1/20 0.31
PSMB1 P20618 1/20 0.30
PSMB5 P28074 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
SCHEMBL10046478 0.94 CNR2 (0.41) CNR1ACHECNR2PPARG
SCHEMBL765580 0.91 CNR1 (0.31) CNR1ACHECNR2
SCHEMBL764377 0.91 CNR1 (0.31) CNR1ACHECNR2
SCHEMBL765094 0.85 KAT2B (0.46) CNR1ACHECNR2KAT2BPSMB1
SCHEMBL765112 0.85 CNR1 (0.33) CNR1ACHECNR2
SCHEMBL12443253 0.81 CNR2 (0.43) CNR1ACHECNR2PPARGKAT2B
SCHEMBL12443687 0.81 CNR2 (0.43) CNR1ACHECNR2PPARGKAT2B
SCHEMBL765570 0.78 KMT2A (0.37) CNR1ACHECNR2PPARGKAT2B
SCHEMBL10046421 0.77 KAT2B (0.39) PPARGKAT2BPSMB1PSMB5
SCHEMBL765562 0.77 KAT2B (0.39) PPARGKAT2BPSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325169-B1 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES Univ Virginia Patent Found (US) 2015-10-07 EP disclosed
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 CNR1 1915/4885ACHE 61/4885CNR2 1873/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI CNR1 1915/4885ACHE 61/4885CNR2 1873/4885

“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.