SCHEMBL4177825

SCHEMBL4177825

CC1(C)OB(c2ccc(-c3nc4c(ncn4-c4cccc(C#N)c4)c(=O)n3-c3ccc(Cl)cc3)cc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.37
TDP2 O95551 5/20 0.37
MAPT P10636 1/20 0.35
MAT2A P31153 2/20 0.35
PSD A5PKW4 1/20 0.35
XDH P47989 1/20 0.34
TP53 P04637 1/20 0.33
GRM1 Q13255 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
SCHEMBL1753132 0.88 MAPT (0.40) MCHR1MAPTXDHTP53GRM1
SCHEMBL4158633 0.86 GRM1 (0.37) MCHR1MAPTPSDXDHGRM1
SCHEMBL1753360 0.85 TDP2 (0.46) MCHR1TDP2MAPTMAT2APSD
SCHEMBL4175211 0.84 TDP2 (0.42) MCHR1TDP2MAPTMAT2AXDH
SCHEMBL4169122 0.84 TDP2 (0.41) MCHR1TDP2MAPTXDH
SCHEMBL4163359 0.83 MAPT (0.54) MAPTTP53GRM1
SCHEMBL4172203 0.81 XDH (0.39) MCHR1TDP2MAPTMAT2AXDH
SCHEMBL4165895 0.79 XDH (0.38) MCHR1TDP2MAPTMAT2APSD
SCHEMBL1754753 0.78 MAPT (0.48) MCHR1TDP2MAPTXDHTP53
SCHEMBL1688959 0.78 TDP2 (0.46) TDP2MAT2AXDHGRM1

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 MCHR1 1596/4885TDP2 3658/4885MAPT 2577/4885

“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.