SCHEMBL2932615

SCHEMBL2932615

O=C(O)N1CCC(Oc2cccc(Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.63
CYP2C9 P11712 1/20 0.53
CYP2J2 P51589 1/20 0.53
OPRK1 P41145 2/20 0.51
SLC6A4 P31645 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CNR1 P21554 1/20 0.49
TRPA1 O75762 1/20 0.48
FPR2 P25090 1/20 0.48
PROKR1 Q8TCW9 1/20 0.48
HRH1 P35367 2/20 0.47
CCR3 P51677 2/20 0.47
HTR2C P28335 1/20 0.47
KCNH2 Q12809 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47

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
SCHEMBL1760979 0.89 EPHX2 (0.63) EPHX2CYP2C9CYP2J2OPRK1SLC6A4
SCHEMBL22278187 0.86 EPHX2 (0.57) EPHX2CYP2C9CYP2J2OPRK1SLC6A4
SCHEMBL22173976 0.85 EPHX2 (0.56) EPHX2CYP2C9CYP2J2OPRK1SLC6A4
SCHEMBL2636719 0.85 EPHX2 (0.56) EPHX2CYP2C9CYP2J2OPRK1SLC6A4
SCHEMBL19610260 0.84 CHRM3 (0.53) EPHX2OPRK1KCNH2
SCHEMBL3292130 0.84 OPRK1 (0.49) EPHX2CYP2C9CYP2J2OPRK1HRH1
SCHEMBL23365152 0.84 EPHX2 (0.50) EPHX2SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL10964732 0.84 EPHX2 (0.55) EPHX2CYP2C9CYP2J2OPRK1SLC6A4
SCHEMBL2636720 0.84 EPHX2 (0.55) EPHX2CYP2C9CYP2J2OPRK1SLC6A4
SCHEMBL10608458 0.83 EPHX2 (0.57) EPHX2CYP2C9CYP2J2OPRK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN claimed
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
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN 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 (1 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R EPHX2 1201/4885CYP2C9 2221/4885CYP2J2 831/4885

“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.