SCHEMBL3542936

SCHEMBL3542936

CC(C)(C)OC(=O)N1CCN2CC(CO)CCC2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.39
PREP P48147 2/20 0.39
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
DDB1 Q16531 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
SCHEMBL5426179 1.00 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL5414571 1.00 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3551512 1.00 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3551509 1.00 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL15511211 0.85 NR1H2 (0.56) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL22557668 0.85 NR1H2 (0.56) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL15511259 0.85 NR1H2 (0.56) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5416595 0.83 GPR119 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL515486 0.81 NR1H2 (0.62) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL621267 0.81 NR1H2 (0.62) NR1H2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834014-B2 Parkinson's disease; [2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol; BIOGEN IDEC MA INC. (US) 2010-11-16 US disclosed
EP-1633756-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-12-24 EP disclosed
US-20070173505-A1 A2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-07-26 US disclosed
EP-1761267-A1 DIAZABICYCLIC HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-03-14 EP disclosed
EP-1633756-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-03-15 EP disclosed
WO-2006000914-A1 DIAZABICYCLIC HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed
US-20050282811-A1 Diazabicyclic histamine-3 receptor antagonists PFIZER INC 2005-12-22 US disclosed
WO-2004092173-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO disclosed
EP-1070065-B1 AZABICYCLIC 5HT1 RECEPTOR LIGANDS PFIZER PROD INC (US) 2003-09-03 EP disclosed
EP-0646116-B1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER (US) 1999-10-13 EP disclosed
WO-1993025552-A1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-12-23 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 (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-20070173505-A1 A2a adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 NR1H2 1812/4885MEN1 3969/4885ALDH1A1 357/4885
US-20050282811-A1 Diazabicyclic histamine-3 receptor antagonists HRH3, HRH4, HRH2 NR1H2 941/4885MEN1 2112/4885ALDH1A1 919/4885

“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.