SCHEMBL764371

SCHEMBL764371

C[C@@H](O)CCCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.57
SLC6A4 P31645 9/20 0.56
SLC6A2 P23975 7/20 0.56
CHRM1 P11229 6/20 0.56
DRD3 P35462 6/20 0.56
ADRA1A P35348 5/20 0.56
SLC6A3 Q01959 5/20 0.56
KCNH2 Q12809 5/20 0.56
CHRM2 P08172 5/20 0.56
CYP3A4 P08684 5/20 0.56
DRD2 P14416 5/20 0.56
CHRM3 P20309 5/20 0.56
HRH1 P35367 5/20 0.56
SLC22A1 O15245 4/20 0.56
CYP2D6 P10635 4/20 0.56
CACNA1B Q00975 4/20 0.56
ADRA2B P18089 4/20 0.56
ADRA2C P18825 4/20 0.56
HTR2C P28335 4/20 0.56
OPRK1 P41145 4/20 0.56

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
SCHEMBL7172308 0.90 HTR2A (0.54) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL15423265 0.87 HTR2A (0.60) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL15275625 0.82 HTR2A (0.62) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL7168069 0.80 MTNR1A (0.46) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL764376 0.79 HTR1A (0.50) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL764397 0.79 SLC6A4 (0.48) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL13051501 0.79 HTR2A (0.78) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL7168602 0.79 SLC6A2 (0.63) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL10615952 0.78 HTR2A (0.66) HTR2ASLC6A4SLC6A2CHRM1DRD3
SCHEMBL7168281 0.78 SLC6A2 (0.64) HTR2ASLC6A4SLC6A2CHRM1DRD3

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