SCHEMBL2930609

SCHEMBL2930609

O=C(O)N1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.61
OPRM1 P35372 6/20 0.61
SLC6A5 Q9Y345 3/20 0.61
KCNH2 Q12809 2/20 0.61
PLD1 Q13393 7/20 0.60
PLD2 O14939 6/20 0.60

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
SCHEMBL1138300 0.83 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5KCNH2PLD1
SCHEMBL9963429 0.80 SLC6A9 (0.68) SLC6A9OPRM1SLC6A5KCNH2PLD1
SCHEMBL8219272 0.79 PLD1 (0.81) SLC6A9OPRM1SLC6A5PLD1PLD2
SCHEMBL5556903 0.78 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2PLD1
SCHEMBL5561878 0.78 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2PLD1
SCHEMBL1138347 0.78 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2PLD1
Trifluoroacetic Acid SCHEMBL11972709 0.78 PLD1 (0.63) SLC6A9OPRM1SLC6A5KCNH2PLD1
SCHEMBL11991351 0.78 PLD1 (0.67) SLC6A9OPRM1SLC6A5KCNH2PLD1
SCHEMBL1140021 0.77 SLC6A9 (0.78) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL8223175 0.77 PLD1 (0.82) SLC6A9PLD1PLD2

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
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
EP-2456307-B1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2016-11-02 EP disclosed
US-9127005-B2 Isoform selective phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2015-09-08 US disclosed
US-20120214832-A1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY 2012-08-23 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US 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-20120214832-A1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PLA2G2D SLC6A9 3344/4885OPRM1 3250/4885SLC6A5 3525/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R SLC6A9 3090/4885OPRM1 3240/4885SLC6A5 2876/4885

“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.