SCHEMBL2250548

SCHEMBL2250548

COc1cc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)ccc1OCCF

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 16/20 0.73
▸ MAPT P10636 15/20 0.73
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TP53 P04637 4/20 0.55
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51

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
SCHEMBL2249448 0.90 GAA (0.71) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2250222 0.85 GAA (1.00) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL14016086 0.84 MAPT (0.58) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2250661 0.83 GAA (0.77) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL14016304 0.83 GAA (0.57) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2250099 0.81 MAPT (0.61) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2251935 0.81 MAPT (0.74) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL12360704 0.78 GAA (0.48) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2254782 0.78 GAA (0.48) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2252820 0.78 GAA (0.69) GAAMAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 — — EP disclosed
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 — — EP disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US disclosed
WO-2008141249-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 — — 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-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS CNR1, CNR2, GPR18 GAA 4087/4885MAPT 2915/4885KDM4E 3074/4885

“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.

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