SCHEMBL2712957

SCHEMBL2712957

CC(C)(C)OC(=O)N1CC2CC2(c2ccc(NCc3ccccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
RORC P51449 9/20 0.44
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
STS P08842 1/20 0.40
KDM1A O60341 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL2712652 0.85 KDM1A (0.44) RORCMAPTKDM1A
SCHEMBL13201877 0.81 GPR119 (0.44) RORCJAK1KDM1AGPR119
SCHEMBL8246876 0.81 GPR119 (0.44) RORCJAK1KDM1AGPR119
SCHEMBL13219044 0.80 RORC (0.44) RORCJAK1KDM1AGPR119
SCHEMBL13201885 0.80 RORC (0.44) RORCJAK1KDM1AGPR119
SCHEMBL8247420 0.80 RORC (0.42) RORCJAK1KDM1AGPR119
SCHEMBL2727269 0.79 GPR119 (0.55) RORCJAK2MAPTGPR119
SCHEMBL23752795 0.78 MGLL (0.54) RORC
SCHEMBL5242538 0.78 RORC (0.57) RORC
SCHEMBL4629158 0.78 RORC (0.44) RORCJAK1KDM1AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051766-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY (ADP-RIBOSE) POLYMERASE INHIBITORS BETTA PHARMACEUTICALS CO., LTD (CN) 2015-04-16 WO disclosed
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 ACHE 1759/4885RORC 113/4885KEAP1 3725/4885

“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.