SCHEMBL7045144

SCHEMBL7045144

CCC(=O)N1C2CCCC1CNC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.47
CHRNA3 P32297 7/20 0.47
CHRNA4 P43681 7/20 0.47
CHRNB4 P30926 6/20 0.47
CHRNA7 P36544 5/20 0.47
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HTR2C P28335 1/20 0.30

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
SCHEMBL17128198 0.92 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2944020 0.90 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1977601 0.84 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL23127154 0.84 CHRM1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Ammonia Solution, Strong SCHEMBL8195833 0.84 CHRM2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL17572218 0.84 CHRM1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2938559 0.81 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL14899362 0.77 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL4686451 0.75 SLC6A1 (0.34) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21358349 0.73 CHRM1 (0.46) CHRM1CHRM4HTR2C

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
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
EP-1259511-A1 3,9-DIAZABICYCLO 3.3.1]NONANE DERIVATIVES WITH ANALGESIC ACTIVITY Il Centro Consortile Ricerche Neuropsicofarmacologiche A R.L. (IT) 2002-11-27 EP disclosed
WO-2001060823-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES WITH ANALGESIC ACTIVITY IL CENTRO CONSORTILE RICERCHE NEUROPSICOFARMACOLOGICHE A R.L. (IT) 2001-08-23 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-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.