SCHEMBL4180829

SCHEMBL4180829

CC(=O)OCS(=O)(=O)c1cccc(-n2cnc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.36
MCHR1 Q99705 9/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.34
CYP19A1 P11511 1/20 0.33
PTGS2 P35354 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL4173644 0.85 GRM1 (0.41) GRM1MCHR1CA12CA9MAPT
SCHEMBL13651680 0.85 GRM1 (0.40) GRM1MCHR1CA12CA9MAPT
SCHEMBL4165651 0.85 MCHR1 (0.37) MCHR1MAPTPOLBPTGS2GABRA2
SCHEMBL4170505 0.84 GRM1 (0.49) GRM1MCHR1CA12CA9MAPT
SCHEMBL4172834 0.83 GRM1 (0.55) GRM1MAPT
SCHEMBL13651673 0.81 MCHR1 (0.40) GRM1MCHR1CA12CA9MAPT
SCHEMBL4165837 0.79 TDP2 (0.45) MCHR1MAPTPTGS2
SCHEMBL4169089 0.79 XDH (0.44) GRM1MCHR1MAPT
SCHEMBL1689079 0.78 MAPT (0.49) GRM1MCHR1MAPT
SCHEMBL1689130 0.78 MAPT (0.49) GRM1MCHR1MAPT

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-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
EP-1999132-B1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2012-07-18 EP disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 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-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity CNR1, CNR2, ITPR2 GRM1 424/4885MCHR1 1596/4885CA12 3913/4885

“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.