SCHEMBL764397

SCHEMBL764397

CC(=O)O[C@H](C)CCCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.48
HTR2A P28223 4/20 0.48
SLC6A2 P23975 4/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
CHRM1 P11229 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
CHRM3 P20309 3/20 0.48
HTR2C P28335 3/20 0.48
ADRA1A P35348 3/20 0.48
HRH1 P35367 3/20 0.48
OPRK1 P41145 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KCNH2 Q12809 3/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 3/20 0.48
SLC22A2 O15244 2/20 0.48
SLC22A1 O15245 2/20 0.48
SLC22A3 O75751 2/20 0.48

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
SCHEMBL10046533 0.83 MTNR1A (0.50) SLC6A4HTR2ASLC6A2DRD2DRD3
SCHEMBL765484 0.82 PIM1 (0.51) ALDH1A1SMPD1MEN1KMT2APPARG
SCHEMBL10046428 0.82 KDM1A (0.51) SLC6A4HTR2ASLC6A2DRD2DRD3
SCHEMBL764371 0.79 HTR2A (0.57) SLC6A4HTR2ASLC6A2DRD2DRD3
SCHEMBL15423265 0.79 HTR2A (0.60) SLC6A4HTR2ASLC6A2DRD2DRD3
SCHEMBL764364 0.79 POLB (0.55) HTR2ADRD2CHRM1ALDH1A1SMPD1
SCHEMBL15275625 0.74 HTR2A (0.62) SLC6A4HTR2ASLC6A2DRD2DRD3
SCHEMBL27203457 0.73 NPC1 (0.48) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27207166 0.73 NPC1 (0.48) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7172308 0.73 HTR2A (0.54) SLC6A4HTR2ASLC6A2DRD2DRD3

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 9 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-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 SLC6A4 248/4885HTR2A 917/4885SLC6A2 575/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI SLC6A4 248/4885HTR2A 917/4885SLC6A2 575/4885

“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.