SCHEMBL4333479

SCHEMBL4333479

O=C(Nc1ccccn1)c1nc(CN2CCC(O)C2)c2ccccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.52
CNR2 P34972 5/20 0.52
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
JAK1 P23458 2/20 0.40
FGFR1 P11362 2/20 0.38
BTK Q06187 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TGFBR1 P36897 2/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL4319768 0.87 CNR1 (0.55) CNR1CNR2PDCD1CD274OPRM1
SCHEMBL4328685 0.85 CNR1 (0.48) CNR1CNR2PDCD1CD274MEN1
SCHEMBL4323159 0.85 CNR2 (0.74) CNR1CNR2DRD4DRD3PDCD1
SCHEMBL4331096 0.84 CNR1 (0.47) CNR1CNR2PDCD1CD274OPRM1
SCHEMBL4327410 0.83 CNR1 (0.47) CNR1CNR2PDCD1CD274OPRM1
SCHEMBL4324493 0.83 CNR2 (0.74) CNR1CNR2DRD2DRD4DRD3
SCHEMBL4327707 0.83 CNR1 (0.73) CNR1CNR2DRD2DRD4DRD3
SCHEMBL4327706 0.83 CNR1 (0.62) CNR1CNR2DRD2DRD4DRD3
SCHEMBL4332165 0.82 CNR2 (0.55) CNR1CNR2DRD4DRD3OPRM1
SCHEMBL13578116 0.81 CNR2 (0.48) CNR1CNR2OPRM1OPRD1OPRK1

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 4 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
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-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 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-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 1/4885DRD2 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.