SCHEMBL2431744

SCHEMBL2431744

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](c1cccc(-c3ccc(F)cc3)c1)CO2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.52
HDAC2 Q92769 4/20 0.47
HDAC1 Q13547 3/20 0.47
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
USP30 Q70CQ3 1/20 0.42
NR1H2 P55055 3/20 0.41
RXRA P19793 2/20 0.41
NR1H3 Q13133 2/20 0.41
CRBN Q96SW2 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
SCHEMBL2428670 0.89 MGLL (0.62) MGLLGPR119USP30NR1H2RXRA
SCHEMBL2420942 0.85 MGLL (0.48) MGLLHDAC2HDAC1
SCHEMBL2427027 0.84 MGLL (0.55) MGLLGPR119
SCHEMBL2423590 0.84 MGLL (0.55) MGLLGPR119
SCHEMBL2424183 0.84 MGLL (0.55) MGLLGPR119
SCHEMBL2427031 0.84 MGLL (0.57) MGLLJAK2
SCHEMBL2427011 0.84 MGLL (0.54) MGLL
SCHEMBL22880757 0.83 MGLL (0.52) MGLLGPR119
SCHEMBL18418311 0.83 MGLL (0.52) MGLLGPR119
SCHEMBL2429904 0.82 MGLL (0.75) MGLLGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors PFIZER INC. 2011-09-22 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-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors FAAH, FAAH2, FFAR1 MGLL 246/4885HDAC2 573/4885HDAC1 131/4885

“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.