SCHEMBL4169657

SCHEMBL4169657

CCOC(=O)c1ncn(-c2cccc([N+](=O)[O-])c2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.55
PDE4D Q08499 3/20 0.55
SLC5A1 P13866 1/20 0.52
SLC5A2 P31639 1/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
ELANE P08246 2/20 0.48
CACNA1F O60840 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
FGFR1 P11362 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL28682936 0.83 HTT (0.58) ELANEMAPTMEN1KMT2ARAB9A
SCHEMBL1753102 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2ARAB9AALOX12
SCHEMBL4164814 0.80 ALDH1A1 (0.43) MAPTMEN1KMT2AALOX12ALDH1A1
SCHEMBL4177523 0.79 GABRA2 (0.49) ELANEALDH1A1
SCHEMBL28704203 0.76 ALDH1A1 (0.53) SLC5A1SLC5A2MAPTRAB9AALOX12
SCHEMBL31117214 0.76 MAPT (0.76) PDE4BPDE4DSLC5A1SLC5A2PDE4A
SCHEMBL4165578 0.76 MAPT (0.76) PDE4BPDE4DSLC5A1SLC5A2PDE4A
SCHEMBL28695056 0.75 GABRA2 (0.47) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL28703663 0.75 L3MBTL1 (0.51) RAB9AALDH1A1SMN1; SMN2
SCHEMBL10317229 0.75 PDE4B (0.68) PDE4BPDE4DSLC5A1SLC5A2PDE4A

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 PDE4B 1480/4885PDE4D 2290/4885SLC5A1 1226/4885

“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.