SCHEMBL4455261

SCHEMBL4455261

O=C(c1cccnc1)c1nc(CN2CCOCC2)c2ccccn12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.62
CNR2 P34972 5/20 0.62
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
ROCK2 O75116 1/20 0.44
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC2A1 P11166 1/20 0.39
FABP6 P51161 1/20 0.39
CHRM2 P08172 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4461480 0.89 CNR1 (0.69) CNR1CNR2GAAALDH1A1MAPT
SCHEMBL3058529 0.83 CNR1 (0.66) CNR1CNR2GAASMN1; SMN2TP53
SCHEMBL4326889 0.83 CNR1 (0.70) CNR1CNR2GAASMN1; SMN2ALDH1A1
SCHEMBL13578113 0.83 CNR2 (0.65) CNR1CNR2SMN1; SMN2TP53ALDH1A1
SCHEMBL4331773 0.82 CNR1 (0.63) CNR1CNR2MEN1KMT2A
SCHEMBL2743123 0.82 CNR1 (0.68) CNR1CNR2GAAALDH1A1SLC2A1
SCHEMBL4341215 0.82 CNR1 (0.62) CNR1CNR2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4457478 0.81 CNR1 (0.64) CNR1CNR2GAAALDH1A1SLC2A1
SCHEMBL4326567 0.81 CNR2 (0.68) CNR1CNR2ALDH1A1SLC2A1MAPT
SCHEMBL4326760 0.81 CNR2 (0.67) CNR1CNR2GAASMN1; SMN2ALDH1A1

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 1/4885GAA 4553/4885

“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.