SCHEMBL5041372

SCHEMBL5041372

CN1C2CCC1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PREP P48147 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
USP30 Q70CQ3 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14934008 0.90 NR1H2 (0.50) HPGDRECQLEPHX1CHRM2CHRM1
SCHEMBL27456630 0.90 NR1H2 (0.50) HPGDRECQLEPHX1CHRM2CHRM1
SCHEMBL31208756 0.84 HPGD (0.46) HPGDRECQLEPHX1CHRM2CHRM1
SCHEMBL31209483 0.84 HPGD (0.48) HPGDRECQLEPHX1CHRM2CHRM1
SCHEMBL27031139 0.84 NR1H2 (0.45) HPGDRECQLEPHX1CHRM2CHRM1
SCHEMBL31208998 0.82 HPGD (0.43) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL31209584 0.82 HPGD (0.43) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL31209762 0.82 HPGD (0.43) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL20587386 0.81 PREP (0.48) HPGDRECQLEPHX1CHRM2CHRM1
SCHEMBL2820842 0.81 HPGD (0.46) HPGDRECQLEPHX1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049110-B1 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
CN-1210277-C Heteroaryl diazabicycloalkanes, their prepn. and use NEUROSEARCH AS (DK) 2005-07-13 CN disclosed
EP-1177196-B1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2004-03-10 EP disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP disclosed
US-6552012-B2 3-(6-Chloro-(3-pyridazinyl))-9-methyl-3,9-diazabicyclo(4.2.1)-nonane, for example; Alzheimer's disease, Parkinson's disease, memory dysfunction, smoking cessation, drug abuse, drug dependence; cholinergic ligands NEUROSEARCH A/S (DK) 2003-04-22 US disclosed
CN-1349533-A Heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-15 CN disclosed
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use ANIONA APS (DK) 2002-03-28 US 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-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA2 HPGD 998/4885RECQL 4094/4885EPHX1 2393/4885

“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.