SCHEMBL2938510

SCHEMBL2938510

CCC(=O)N1CCC2CCC(C1)N2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.65
CHRNA3 P32297 15/20 0.65
CHRNA4 P43681 15/20 0.65
CHRNB3 Q05901 13/20 0.65
CHRNA6 Q15825 13/20 0.65
CHRNB4 P30926 2/20 0.44
CHRNA7 P36544 2/20 0.44
EPHX2 P34913 3/20 0.41
ALDH1A1 P00352 1/20 0.39

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 0.93 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7049284 0.81 CHRNB2 (0.75) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1978271 0.79 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20186613 0.77 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20186616 0.77 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13478860 0.76 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27227699 0.75 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10305115 0.74 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16621835 0.74 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16621833 0.74 CHRNB2 (0.44) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399457-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2013-03-19 US disclosed
US-8399457-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2013-03-19 US disclosed
US-8399457-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2013-03-19 US disclosed
EP-2149575-B1 Diazabicyclic compounds as opioid receptor agonists NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-10-24 EP disclosed
US-20100029622-A1 MICROEMULSIONS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-02-04 US disclosed
US-20100029622-A1 MICROEMULSIONS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-02-04 US disclosed
US-20100029622-A1 MICROEMULSIONS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-02-04 US disclosed
US-20100028257-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2010-02-04 US disclosed
US-20100028257-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2010-02-04 US disclosed
US-20100028257-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2010-02-04 US disclosed
EP-2149575-A1 Diazabicyclic compounds as opioid receptor agonists Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-02-03 EP disclosed
EP-2149370-A1 Diazabicyclic compounds and microemulsions thereof Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-02-03 EP disclosed
US-7358243-B2 Diazabicyclonane and-decane derivatives and their use as opioid receptor ligands NEUROSEARCH A/S (DK) 2008-04-15 US disclosed
EP-1527075-B1 DIAZABICYCLONONANE AND -DECANE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2008-03-26 EP disclosed
US-20050239773-A1 Diazabicyclonane and-decane derivatives and their use as opioid receptor ligands ANIONA APS (DK) 2005-10-27 US disclosed
EP-1527075-A1 DIAZABICYCLONONANE AND -DECANE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-05-04 EP disclosed
WO-2004011468-A1 DIAZABICYCLONONANE AND -DECANE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2004-02-05 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 (3 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-20100028257-A1 PHARMACEUTICAL COMPOUNDS OPRD1, OPRK1, OPRM1 CHRNB2 70/4885CHRNA3 73/4885CHRNA4 75/4885
US-20100029622-A1 MICROEMULSIONS LIPA, APOB, LIPC CHRNB2 438/4885CHRNA3 520/4885CHRNA4 619/4885
US-20050239773-A1 Diazabicyclonane and-decane derivatives and their use as opioid receptor ligands OPRM1, OPRD1, OPRK1 CHRNB2 131/4885CHRNA3 59/4885CHRNA4 92/4885

“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.