SCHEMBL3076503

SCHEMBL3076503

CC[C@@]1(N)C[C@H](C)CC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 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
SCHEMBL10869997 1.00 ESR1 (0.34) ESR1ESR2GRIN2DGRIN3BGRIN1
SCHEMBL2547628 0.83 ESR1 (0.34) ESR1ESR2
SCHEMBL2330095 0.83 ESR1 (0.34) ESR1ESR2
SCHEMBL24897558 0.73
SCHEMBL24064819 0.73 ESR1 (0.36) ESR1ESR2
SCHEMBL4413629 0.72 ESR1 (0.45) ESR1ESR2
SCHEMBL23795835 0.72 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4096134 0.72 ESR1 (0.38) ESR1ESR2GRIN2DGRIN3BGRIN1
SCHEMBL540773 0.72 ESR1 (0.38) ESR1ESR2GRIN2DGRIN3BGRIN1
SCHEMBL635664 0.72 ESR1 (0.38) ESR1ESR2GRIN2DGRIN3BGRIN1

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-20160136144-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO. KGAA (DE) 2016-05-19 US disclosed
US-20140371260-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO. KGAA (GE) 2014-12-18 US disclosed
US-20100227852-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors MERZ PHARMA GMBH & CO. KGAA (DE) 2010-09-09 US disclosed
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-05-14 US disclosed
US-20070185151-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2007-08-09 US disclosed
US-7238703-B2 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2007-07-03 US disclosed
US-7022729-B2 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-04 US disclosed
US-20060019982-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2006-01-26 US disclosed
US-20060019983-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2006-01-26 US disclosed
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy MERZ PHARMA GMBH & CO. KGAA (DE) 2004-05-06 US disclosed
US-20040034055-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA 2004-02-19 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 (9 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-20140371260-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, BACE1, CHRNE ESR1 734/4885ESR2 702/4885GRIN2D 159/4885
US-20100227852-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors ACHE, BACE1, CHRNE ESR1 734/4885ESR2 702/4885GRIN2D 159/4885
US-20160136144-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE ESR1 1810/4885ESR2 1176/4885GRIN2D 162/4885
US-20070185151-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A ESR1 3879/4885ESR2 2986/4885GRIN2D 21/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE ESR1 876/4885ESR2 823/4885GRIN2D 140/4885
US-20060019983-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A ESR1 3706/4885ESR2 2779/4885GRIN2D 19/4885
US-20060019982-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A ESR1 3706/4885ESR2 2779/4885GRIN2D 19/4885
US-20040034055-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A ESR1 3785/4885ESR2 2892/4885GRIN2D 15/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 ESR1 719/4885ESR2 677/4885GRIN2D 94/4885

“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.