SCHEMBL2733601

SCHEMBL2733601

CC(C)(C)OC(=O)N1CC2CC2(c2ccc(N3C(=O)OCC3Cn3ccnn3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.37
MAOA P21397 3/20 0.32
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
CTSE P14091 1/20 0.31
RORC P51449 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL9951540 0.85 MGLL (0.40) MGLLBACE1CTSDCTSERORC
SCHEMBL9950570 0.81 MGLL (0.38) MGLLMAOARORCMAOB
SCHEMBL9951201 0.81 MGLL (0.38) MGLLRORC
SCHEMBL2727332 0.74 MAOA (0.47) MAOAMAOB
SCHEMBL9951110 0.74 MAOA (0.47) MAOAMAOB
SCHEMBL2501461 0.74 MAOA (0.38) MAOAMAOB
SCHEMBL9951463 0.72 MGLL (0.35) MGLL
SCHEMBL10130826 0.72 MAOA (0.51) MAOAMAOB
SCHEMBL2733595 0.71 MGLL (0.36) MGLLRORC
SCHEMBL2733598 0.71 MGLL (0.36) 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 4807/4885MAOA 673/4885BACE1 454/4885

“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.