SCHEMBL4119940

SCHEMBL4119940

CC(C)(C)OC(=O)N1CC2CC1CN(c1cncc(Br)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
CHRNB2 P17787 7/20 0.39
CHRNA4 P43681 7/20 0.39
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HDAC1 Q13547 1/20 0.35
PARP1 P09874 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
AR P10275 3/20 0.34

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
SCHEMBL13768041 0.87 HSD11B1 (0.38) HSD11B1GPR119NR1H2NR1H3HDAC1
SCHEMBL13767982 0.84 CHRNB4 (0.40) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13768190 0.84 AR (0.43) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL13768179 0.83 CHRNB4 (0.48) HSD11B1CHRNB4CHRNA3USP30GPR119
SCHEMBL2949364 0.83 GPR119 (0.48) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11963191 0.83 GPR119 (0.48) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13768040 0.83 HDAC1 (0.38) HSD11B1CHRNB4CHRNA3GPR119NR1H2
SCHEMBL13768039 0.83 CHRNB2 (0.39) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13768188 0.81 HTT (0.39) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4120182 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3UCHL1

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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 US disclosed
WO-2009081246-A2 BICYCLIC DIAMINES AS NICOTINIC RECEPTOR AGONISTS PFIZER INC. (US) 2009-07-02 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC HSD11B1 177/4885CHRNB2 3338/4885CHRNA4 3801/4885

“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.