SCHEMBL9951540

SCHEMBL9951540

CC(C)(C)OC(=O)N1CC2CC2(c2ccc(N3C(=O)OCC3CO)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.40
RORC P51449 9/20 0.36
NR1H2 P55055 1/20 0.33
BACE1 P56817 2/20 0.32
KDM1A O60341 1/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL9951201 0.89 MGLL (0.38) MGLLRORCGPR119
SCHEMBL9950570 0.89 MGLL (0.38) MGLLRORCKDM1AGPR119JAK1
SCHEMBL2733601 0.85 MGLL (0.37) MGLLRORCBACE1CTSDCTSE
SCHEMBL9951537 0.80 MAOA (0.41) MGLLRORC
SCHEMBL9951463 0.78 MGLL (0.35) MGLL
SCHEMBL13201877 0.78 GPR119 (0.44) MGLLRORCNR1H2KDM1AGPR119
SCHEMBL8246876 0.78 GPR119 (0.44) MGLLRORCNR1H2KDM1AGPR119
SCHEMBL2366683 0.77 KMT2A (0.50) GPR119
SCHEMBL2366680 0.77 KMT2A (0.50) GPR119
SCHEMBL9951786 0.76 GPR119 (0.49) MGLLRORCGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 MGLL 4807/4885RORC 113/4885NR1H2 364/4885

“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.