SCHEMBL4479263

SCHEMBL4479263

CC(C)(OCC(=O)O)[C@H](c1cc(F)cc(F)c1)C1CN([C@@H](c2ccc(Cl)cc2)c2cccc(C#N)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.38
CNR1 P21554 9/20 0.37
CNR2 P34972 6/20 0.37
HRH1 P35367 3/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TEK Q02763 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4D Q6B0I6 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL4479268 1.00 MGLL (0.38) MGLLCNR1CNR2HRH1SLC6A2
SCHEMBL1528977 0.87 CNR1 (0.37) MGLLCNR1CNR2SLC6A2SLC6A4
SCHEMBL1528867 0.87 CNR1 (0.37) MGLLCNR1CNR2SLC6A2SLC6A4
SCHEMBL1528711 0.87 MGLL (0.38) MGLLCNR1CNR2KDM4DSLC6A9
SCHEMBL1528708 0.87 MGLL (0.38) MGLLCNR1CNR2KDM4DSLC6A9
SCHEMBL1528657 0.86 CNR1 (0.36) MGLLCNR1CNR2KDM4D
SCHEMBL1528659 0.86 CNR1 (0.36) MGLLCNR1CNR2KDM4D
SCHEMBL1528863 0.86 MGLL (0.38) MGLLCNR1CNR2KDM4D
SCHEMBL1528860 0.86 MGLL (0.38) MGLLCNR1CNR2KDM4D
SCHEMBL1528861 0.86 MGLL (0.38) MGLLCNR1CNR2KDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293299-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2006-12-28 US claimed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 US disclosed
US-20060293299-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2006-12-28 US 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-20060293299-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG MGLL 409/4885CNR1 1/4885CNR2 2/4885

“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.