SCHEMBL3783922

SCHEMBL3783922

CCOCCNS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
NPY5R Q15761 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
RAB9A P51151 2/20 0.41
PTGS1 P23219 2/20 0.41
NPC1 O15118 1/20 0.41
EPHX2 P34913 1/20 0.38
DEGS1 O15121 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37

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
SCHEMBL3658651 0.88 CNR2 (0.58) POLBGAANPY5RCNR1CNR2
SCHEMBL3654312 0.86 NPY5R (0.47) POLBGAANPY5RCNR1CNR2
SCHEMBL3656884 0.86 NPY5R (0.51) POLBGAANPY5RCNR1CNR2
SCHEMBL1620979 0.77 CNR2 (0.54) POLBGAANPY5RCNR1CNR2
SCHEMBL1621448 0.77 CNR1 (0.49) POLBGAANPY5RCNR1CNR2
SCHEMBL1621035 0.76 NPY5R (0.55) POLBGAANPY5RCNR1CNR2
SCHEMBL3783928 0.76 POLB (0.47) POLBGAANPY5RCNR1CNR2
SCHEMBL3658160 0.75 NPY5R (0.72) GAANPY5RCNR1CNR2RAB9A
SCHEMBL1621630 0.75 RAB9A (0.48) POLBGAANPY5RCNR1CNR2
SCHEMBL1621631 0.75 CNR1 (0.47) POLBGAANPY5RCNR1CNR2

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-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US claimed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP claimed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US claimed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 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 (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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 POLB 4500/4885GAA 4409/4885NPY5R 202/4885

“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.