SCHEMBL929271

SCHEMBL929271

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(Br)cc3)C[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 3/20 0.44
GPR119 Q8TDV5 7/20 0.43
AR P10275 3/20 0.43
RORC P51449 2/20 0.40
ESRRB O95718 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRA P11474 1/20 0.39
ESRRG P62508 1/20 0.39
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL25966372 0.85 NR1H2 (0.51) NR1H2NR1H3GPR119AR
SCHEMBL1794578 0.85 CHRNA7 (0.52) NR1H2NR1H3AR
SCHEMBL38651745 0.83 GPR119 (0.39) NR1H2NR1H3GPR119AR
SCHEMBL927555 0.83 GPR119 (0.52) NR1H2GPR119RORCESRRBESR1
SCHEMBL22015318 0.83 GPR119 (0.52) NR1H2GPR119RORCESRRBESR1
SCHEMBL4120182 0.82 CHRNB2 (0.45) NR1H2NR1H3GPR119AR
SCHEMBL15015937 0.82 CHRNB2 (0.45) NR1H2NR1H3GPR119AR
SCHEMBL4120180 0.82 CHRNB2 (0.45) NR1H2NR1H3GPR119AR
SCHEMBL1796811 0.81 CHRNA7 (0.58) NR1H2NR1H3AR
SCHEMBL24681357 0.80 GPR119 (0.43) NR1H2NR1H3GPR119ARRORC

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-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 NR1H2 158/4885NR1H3 202/4885GPR119 84/4885

“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.