SCHEMBL1711341

SCHEMBL1711341

CN1C[C@H]2C[C@@H]1CN(C(=O)C1CC1)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.56
CHRNA3 P32297 10/20 0.56
CHRNA4 P43681 10/20 0.56
CHRNB4 P30926 5/20 0.56
CHRNA7 P36544 5/20 0.56
CHRNB3 Q05901 5/20 0.47
CHRNA6 Q15825 5/20 0.47
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL3233321 0.86 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21891883 0.75 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1463858 0.72 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL31630855 0.70 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL10140410 0.68 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL10196622 0.67 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21846690 0.67 HRH3 (0.47) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL11778251 0.67 HSD11B1 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26124395 0.66 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL24127299 0.66 MEN1 (0.37) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US claimed
EP-2344496-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF Targacept Inc. (US) 2011-07-20 EP claimed
WO-2010028033-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO claimed
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US disclosed
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US disclosed
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US disclosed
EP-2344496-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF Targacept Inc. (US) 2011-07-20 EP disclosed
WO-2010028033-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 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-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF CHRNA2, CHRNA10, CHRNA5 CHRNB2 7/4885CHRNA3 4/4885CHRNA4 5/4885

“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.