SCHEMBL8218775

SCHEMBL8218775

COc1cc(C(=O)N2CCC3(CC2)CN(CC2CC2)C3c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HRH1 P35367 1/20 0.41

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
SCHEMBL8224700 0.85 PKM (0.46) PKMGAAALDH1A1CYP1A2L3MBTL1
SCHEMBL8210270 0.83 PKM (0.48) PKMGAAALDH1A1CYP1A2KCNH2
SCHEMBL8221144 0.78 ALDH1A1 (0.54) GAAALDH1A1CYP1A2L3MBTL1POLB
SCHEMBL8226500 0.77 ALDH1A1 (0.51) GAAALDH1A1CYP1A2
SCHEMBL8227825 0.76 ALDH1A1 (0.51) GAAALDH1A1CYP1A2L3MBTL1POLB
SCHEMBL13596000 0.75 ALDH1A1 (0.50) GAAALDH1A1CYP1A2HRH1
SCHEMBL8228873 0.74 ALDH1A1 (0.48) PKMGAAALDH1A1CYP1A2L3MBTL1
SCHEMBL13596026 0.73 LMNA (0.48) GAAALDH1A1CYP1A2L3MBTL1POLB
SCHEMBL8218788 0.72 PKM (0.57) PKMALDH1A1CYP1A2L3MBTL1POLB
SCHEMBL8210265 0.72 PKM (0.46) PKMGAAALDH1A1CYP1A2L3MBTL1

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
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
WO-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 PKM 2998/4885GAA 738/4885ALDH1A1 692/4885

“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.