SCHEMBL3085064

SCHEMBL3085064

CCOC(=O)CCCC1(NC(=O)CCl)CC(C)(C)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.38
CYP1A2 P05177 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3080428 0.92 EPHX2 (0.34) EPHX2CYP1A2SMYD3GAAPOLB
SCHEMBL3076284 0.76
SCHEMBL1364893 0.67
SCHEMBL11789642 0.66 ALDH1A1 (0.59) EPHX2CYP1A2GAAKMT2A
Cyclohexane SCHEMBL27346912 0.66 CYP1A2 (0.55) CYP1A2SMYD3GAAPOLBTSHR
SCHEMBL1364855 0.66 CYP1A2 (0.59) CYP1A2GAAKMT2ATSHR
SCHEMBL4432951 0.65 GAA (0.48) CYP1A2GAAPOLBKMT2AMAPT
SCHEMBL1363140 0.64 CYP1A2 (0.57) CYP1A2GAAKMT2ATSHRMAPT
SCHEMBL1366491 0.64 CYP1A2 (0.57) CYP1A2GAAKMT2ATSHRMAPT
SCHEMBL1364872 0.64 CYP1A2 (0.57) CYP1A2GAAKMT2ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169864-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO KGAA (DE) 2021-06-10 US disclosed
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
EP-2260839-A2 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors Merz Pharma GmbH & Co. KGaA (DE) 2010-12-15 EP 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 (10 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 EPHX2 354/4885CYP1A2 511/4885SMYD3 2264/4885
US-20100227852-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors ACHE, BACE1, CHRNE EPHX2 354/4885CYP1A2 511/4885SMYD3 2264/4885
US-20160136144-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE EPHX2 456/4885CYP1A2 511/4885SMYD3 1732/4885
US-20210169864-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE EPHX2 456/4885CYP1A2 511/4885SMYD3 1732/4885
US-20070185151-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A EPHX2 3164/4885CYP1A2 1742/4885SMYD3 2410/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE EPHX2 319/4885CYP1A2 531/4885SMYD3 2005/4885
US-20060019983-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A EPHX2 2971/4885CYP1A2 1946/4885SMYD3 2127/4885
US-20060019982-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A EPHX2 2971/4885CYP1A2 1946/4885SMYD3 2127/4885
US-20040034055-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A EPHX2 2783/4885CYP1A2 1790/4885SMYD3 2462/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 EPHX2 289/4885CYP1A2 608/4885SMYD3 2548/4885

“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.