SCHEMBL2712652

SCHEMBL2712652

CC(C)(C)OC(=O)N1CC2CC2(c2ccc(NC(=O)OCc3ccccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
RCOR1 Q9UKL0 2/20 0.43
TGM2 P21980 5/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
POLB P06746 1/20 0.42
RORC P51449 3/20 0.41
BACE1 P56817 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP8 P22894 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
SCHEMBL2712957 0.85 ACHE (0.44) KDM1ARORCMAPT
SCHEMBL6003765 0.79 KDM1A (0.43) KDM1AMAOAMAOBRCOR1TGM2
SCHEMBL8246876 0.78 GPR119 (0.44) KDM1ARORC
SCHEMBL13201877 0.78 GPR119 (0.44) KDM1ARORC
SCHEMBL13219044 0.77 RORC (0.44) KDM1ARORCBACE1
SCHEMBL13201885 0.77 RORC (0.44) KDM1ARORCBACE1
SCHEMBL8247420 0.77 RORC (0.42) KDM1ARORC
SCHEMBL2727269 0.76 GPR119 (0.55) RORCMAPTALDH1A1
SCHEMBL7043474 0.76 ALDH1A1 (0.60) TGM2MAPTNPC1ALDH1A1RAB9A
SCHEMBL14824682 0.76 NAMPT (0.65) KDM1AMAOAMAOBRCOR1TGM2

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 KDM1A 2809/4885MAOA 673/4885MAOB 227/4885

“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.