SCHEMBL2944020

SCHEMBL2944020

CCC(=O)N1C2CCCC1CNCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA7 P36544 2/20 0.39
SLC6A1 P30531 4/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
HTR6 P50406 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2938559 0.93 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL7045144 0.90 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL17128198 0.82 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL23127154 0.82 CHRM1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Ammonia Solution, Strong SCHEMBL8195833 0.82 CHRM2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL17572218 0.82 CHRM1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL14899362 0.75 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1977601 0.74 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL28066516 0.72 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL30686962 0.71 SLC6A1 (0.39) SLC6A1SLC6A11SLC6A13GABRA5GABRB2

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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

“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.