SCHEMBL7049284

SCHEMBL7049284

CCC(=O)N1CC2CCCC(C1)N2

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.75
CHRNA3 P32297 15/20 0.75
CHRNA4 P43681 15/20 0.75
CHRNB3 Q05901 13/20 0.75
CHRNA6 Q15825 13/20 0.75
CHRNB4 P30926 2/20 0.52
CHRNA7 P36544 2/20 0.52
EPHX2 P34913 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL2935276 0.90 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1978271 0.86 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2938510 0.81 CHRNB2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3805279 0.81 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20343593 0.78 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1588528 0.75 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30260009 0.75 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30259987 0.75 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13435652 0.74 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12224347 0.74 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030195217-A1 3,9-Diazabicyclo[3.3.1]nonane derivatives with analgesic activity IL CENTRO CONSORTILE RICERCHE NEUROPSICOFARMACOLOGICHE A R.L (ABBREVIATED IN NEUROSCINZE S.C.A.R.L.) (IT) 2003-10-16 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-20030195217-A1 3,9-Diazabicyclo[3.3.1]nonane derivatives with analgesic activity OPRD1, OPRK1, OPRM1 CHRNB2 754/4885CHRNA3 363/4885CHRNA4 877/4885

“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.