SCHEMBL4120180

SCHEMBL4120180

CC(C)(C)OC(=O)N1CC2CN(c3cncc(Br)c3)CC21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.45
CHRNA4 P43681 7/20 0.45
CHRNB4 P30926 5/20 0.45
CHRNA3 P32297 5/20 0.45
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
AR P10275 1/20 0.35
SPR P35270 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15015937 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3UCHL1
SCHEMBL4120182 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3UCHL1
SCHEMBL650034 0.90 GPR119 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3UCHL1
SCHEMBL650737 0.90 GPR119 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3UCHL1
SCHEMBL2065859 0.85 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3USP30
SCHEMBL2065863 0.85 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3USP30
SCHEMBL4118031 0.84 NR1H2 (0.40) NR1H2NR1H3GPR119ARSPR
SCHEMBL652254 0.84 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3NR1H2
SCHEMBL25966372 0.83 NR1H2 (0.51) USP30NR1H2NR1H3GPR119AR
SCHEMBL929271 0.82 NR1H2 (0.44) NR1H2NR1H3GPR119AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC CHRNB2 3338/4885CHRNA4 3801/4885CHRNB4 3970/4885

“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.