SCHEMBL230100

SCHEMBL230100

CON(C)C(=O)c1nc(CN2CCOCC2)c2ccccn12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.58
CNR2 P34972 6/20 0.58
KDM4E B2RXH2 3/20 0.37
HTR4 Q13639 2/20 0.37
GAA P10253 2/20 0.36
SLC2A1 P11166 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2743123 0.83 CNR1 (0.68) CNR1CNR2KDM4EGAASLC2A1
SCHEMBL18039524 0.81 CNR1 (0.66) CNR1CNR2KDM4EGAASLC2A1
SCHEMBL4324403 0.81 CNR1 (0.60) CNR1CNR2KDM4EGAASLC2A1
SCHEMBL4461480 0.79 CNR1 (0.69) CNR1CNR2KDM4EGAAHPGD
SCHEMBL4341215 0.76 CNR1 (0.62) CNR1CNR2HPGD
SCHEMBL4321329 0.76 CNR1 (0.61) CNR1CNR2KDM4EHSD17B10L3MBTL1
SCHEMBL4326889 0.76 CNR1 (0.70) CNR1CNR2KDM4EGAASLC2A1
SCHEMBL4334526 0.76 CNR1 (0.80) CNR1CNR2
SCHEMBL4323115 0.76 CNR1 (0.74) CNR1CNR2
SCHEMBL3058529 0.76 CNR1 (0.66) CNR1CNR2GAASLC2A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. 2012-01-05 US disclosed
US-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. 2012-01-05 US disclosed
US-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. 2012-01-05 US disclosed
EP-2203171-A2 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-07-07 EP disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
WO-2009025785-A2 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-02-26 WO disclosed
WO-2009025785-A2 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-02-26 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 (2 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-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN CNR2, CNR1, TRPV1 CNR1 2/4885CNR2 1/4885KDM4E 3320/4885
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR1 2/4885CNR2 1/4885KDM4E 2430/4885

“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.