SCHEMBL2733595

SCHEMBL2733595

CC(C)(C)OC(=O)N1C[C@@H]2CC2(c2ccc(N3CCOC3C(=O)n3ccnn3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.36
PIK3R1 P27986 2/20 0.35
PIK3CA P42336 2/20 0.35
RORC P51449 3/20 0.34
GPR119 Q8TDV5 6/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL2733598 1.00 MGLL (0.36) MGLLPIK3R1PIK3CARORCGPR119
SCHEMBL2713151 0.77 GPR119 (0.49) MGLLPIK3CARORCGPR119USP2
SCHEMBL9951786 0.77 GPR119 (0.49) MGLLPIK3CARORCGPR119USP2
SCHEMBL2727269 0.75 GPR119 (0.55) RORCGPR119LMNA
SCHEMBL2728583 0.75 GPR119 (0.47) MGLLRORCGPR119MEN1KMT2A
SCHEMBL10132382 0.74 GPR119 (0.46) MGLLRORCGPR119HPGDLMNA
SCHEMBL2712292 0.72 GPR119 (0.45) MGLLRORCGPR119LMNA
SCHEMBL2727935 0.71 GPR119 (0.47) MGLLRORCGPR119LMNA
SCHEMBL2733601 0.71 MGLL (0.37) MGLLRORC
SCHEMBL23752795 0.70 MGLL (0.54) MGLLRORC

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 4 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
EP-2445887-A2 NOVEL AZABICYCLOHEXANES Panacea Biotec Limited (IN) 2012-05-02 EP disclosed
WO-2010150281-A2 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2010-12-29 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 MGLL 4807/4885PIK3R1 2317/4885PIK3CA 2531/4885

“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.