SCHEMBL2935196

SCHEMBL2935196

CCC(=O)N1C2CCCC1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
PREP P48147 2/20 0.43
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
RECQL P46063 1/20 0.39
NR1H2 P55055 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
TP53 P04637 1/20 0.37
PDE4B Q07343 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL4694497 0.95 PREP (0.45) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL17128208 0.86 NR1H2 (0.48) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL20587386 0.79 PREP (0.48) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL4264465 0.76 HPGD (0.55) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL31209057 0.76 HPGD (0.51) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL14196264 0.76 HPGD (0.51) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL34473834 0.76 HPGD (0.51) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL13085760 0.76 HPGD (0.55) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL31064202 0.75 HPGD (0.48) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL1094778 0.75 HPGD (0.57) HPGDMEN1ALDH1A1KMT2AMAPT

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 7 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-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 HPGD 1106/4885MEN1 3616/4885ALDH1A1 1449/4885
US-20100029622-A1 MICROEMULSIONS LIPA, APOB, LIPC HPGD 4710/4885MEN1 1138/4885ALDH1A1 4424/4885

“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.