SCHEMBL2250301

SCHEMBL2250301

COc1cc(-c2nc3cc(C)ccn3c2NCc2ccc3c(c2)OCCO3)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.68
MAPT P10636 13/20 0.68
ALDH1A1 P00352 11/20 0.68
L3MBTL1 Q9Y468 5/20 0.68
RAB9A P51151 4/20 0.68
NPSR1 Q6W5P4 3/20 0.68
MAPK1 P28482 3/20 0.68
KDM4E B2RXH2 10/20 0.68
HPGD P15428 9/20 0.68
SMN1; SMN2 Q16637 7/20 0.58
HTT P42858 5/20 0.58
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
HSD17B10 Q99714 4/20 0.57
NPC1 O15118 2/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
CASP1 P29466 1/20 0.49

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
SCHEMBL2251270 0.90 GAA (0.68) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL2253516 0.89 GAA (0.74) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL2252724 0.88 GAA (0.75) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL5374835 0.87 MAPT (0.80) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL2252198 0.86 MAPT (0.78) GAAMAPTALDH1A1L3MBTL1NPSR1
SCHEMBL2254234 0.84 GAA (0.74) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL2254201 0.83 GAA (0.56) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL2250303 0.78 MAPT (0.53) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL5370506 0.76 GAA (0.80) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL5425036 0.75 NR1H4 (0.62) GAAMAPTALDH1A1L3MBTL1RAB9A

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 5 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
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 2915/4885ALDH1A1 3205/4885

“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.