SCHEMBL4113397

SCHEMBL4113397

CC(C)(C)OC(=O)N1CC2CCN(c3cncc(Br)c3)C2C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.47
USP30 Q70CQ3 1/20 0.43
FPR2 P25090 1/20 0.43
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
LIPE Q05469 1/20 0.40

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
SCHEMBL4113401 1.00 GPR119 (0.47) GPR119USP30FPR2CHRNB2CHRNA4
SCHEMBL652015 0.91 CHRNB2 (0.48) GPR119USP30FPR2CHRNB2CHRNA4
SCHEMBL652300 0.91 CHRNB2 (0.48) GPR119USP30FPR2CHRNB2CHRNA4
SCHEMBL652471 0.88 GPR119 (0.47) GPR119USP30FPR2LIPE
SCHEMBL650730 0.84 GPR119 (0.49) GPR119USP30CHRNB2CHRNA4CHRNB4
SCHEMBL653926 0.84 GPR119 (0.49) GPR119USP30CHRNB2CHRNA4CHRNB4
SCHEMBL2411815 0.84 HRH3 (0.55) GPR119USP30FPR2LIPE
SCHEMBL2411817 0.84 HRH3 (0.55) GPR119USP30FPR2LIPE
SCHEMBL2065859 0.83 CHRNB2 (0.48) GPR119USP30CHRNB2CHRNA4CHRNB4
SCHEMBL2065863 0.83 CHRNB2 (0.48) GPR119USP30CHRNB2CHRNA4CHRNB4

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 GPR119 480/4885USP30 3882/4885FPR2 756/4885

“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.