SCHEMBL1992789

SCHEMBL1992789

O=C1CC2CCCC(CN1)N2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
USP2 O75604 1/20 0.43
OPRK1 P41145 3/20 0.42
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 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
SCHEMBL2302565 0.94 CHRM2 (0.46) L3MBTL1CHRM2CHRM4CHRM5OPRK1
SCHEMBL3082052 0.82 CHRM2 (0.42) KMT2AL3MBTL1LMNACHRM2CHRM4
SCHEMBL12902953 0.82 KMT2A (0.51) KMT2AL3MBTL1LMNACHRM2CHRM4
SCHEMBL911191 0.82 KMT2A (0.51) KMT2AL3MBTL1LMNACHRM2CHRM4
SCHEMBL15425873 0.82 KMT2A (0.51) KMT2AL3MBTL1LMNACHRM2CHRM4
Bromide SCHEMBL9957539 0.80 KMT2A (0.50) KMT2AL3MBTL1LMNACHRM2CHRM4
Hydrochloric Acid SCHEMBL18063 0.80 CHRM2 (0.53) KMT2AL3MBTL1LMNACHRM2CHRM4
SCHEMBL12564502 0.80 CHRM2 (0.56) KMT2AL3MBTL1LMNACHRM2CHRM4
SCHEMBL4870895 0.78 CHRM2 (0.60) KMT2AL3MBTL1LMNACHRM2CHRM4
SCHEMBL5728905 0.76 CHRM2 (0.58) KMT2AL3MBTL1LMNACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609659-B2 Substituted 3,8-diazabicyclo[3.2.1]octane compounds NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2013-12-17 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
EP-2338889-B1 Diazacyclic compounds having affinity for opioid receptors NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-08-29 EP disclosed
EP-2338889-A1 Diazacyclic compounds having affinity for opioid receptors Neuroscienze Pharmaness S.C. A R.L. (IT) 2011-06-29 EP disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 US disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 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
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 (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 KMT2A 2488/4885L3MBTL1 4557/4885LMNA 4122/4885
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS OPRD1, OPRK1, OPRM1 KMT2A 3835/4885L3MBTL1 2576/4885LMNA 3155/4885
US-20100029622-A1 MICROEMULSIONS LIPA, APOB, LIPC KMT2A 3282/4885L3MBTL1 4704/4885LMNA 1557/4885

“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.