SCHEMBL4333487

SCHEMBL4333487

O=C(Nc1nccc2ccccc12)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.61
CNR1 P21554 5/20 0.61
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRL1 P41146 1/20 0.37
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPK14 Q16539 3/20 0.37
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
FDPS P14324 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
HPGDS O60760 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
SCHEMBL4333482 0.93 CNR2 (0.52) CNR2CNR1DRD2DRD4DRD3
SCHEMBL13578123 0.88 CNR2 (0.53) CNR2CNR1DRD2DRD4DRD3
SCHEMBL4330958 0.87 CNR2 (0.62) CNR2CNR1DRD2DRD4DRD3
SCHEMBL4331291 0.85 CNR1 (0.61) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4334587 0.85 CNR2 (0.67) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4326283 0.83 CNR1 (0.58) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4327707 0.83 CNR1 (0.73) CNR2CNR1DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL4341285 0.83 CNR2 (0.51) CNR2CNR1DRD2DRD4DRD3
SCHEMBL13578117 0.82 CNR1 (0.61) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL13578119 0.81 CNR2 (0.63) CNR2CNR1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885DRD2 401/4885

“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.