SCHEMBL3078747

SCHEMBL3078747

C=CC1(CC(=O)OCC)CC(C)(C)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 3/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL8234342 0.82 GAA (0.41) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL19746316 0.78 GAA (0.38) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL9796453 0.78 KDM4E (0.40) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL3079293 0.77 PTGS1 (0.31)
SCHEMBL14559644 0.77 GAA (0.36) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL6023769 0.75 TSHR (0.40) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL13063367 0.75 KMT2A (0.36) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL597365 0.70 KMT2A (0.51) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL27300102 0.69 GAA (0.43) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL19746544 0.69 SMN1; SMN2 (0.38) KMT2AL3MBTL1GAAALDH1A1ALOX15

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 23 patents — showing the first 20. 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-20160136144-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO. KGAA (DE) 2016-05-19 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
US-20140371260-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO. KGAA (GE) 2014-12-18 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-20100227852-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors MERZ PHARMA GMBH & CO. KGAA (DE) 2010-09-09 US disclosed
CN-100339070-C Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-26 CN disclosed
CN-1720035-A Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors MERZ PHARMA GMBH & CO KGAA (DE) 2006-01-11 CN disclosed
EP-1556019-A2 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS Merz Pharma GmbH & Co. KGaA (DE) 2005-07-27 EP disclosed
CN-1602292-A Unsaturated 1-amino-alkylcyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO KGAA (DE) 2005-03-30 CN disclosed
US-6828462-B2 Amines such as 3,3,5,5-Tetramethyl-1-vinylcyclohexanamine hydrochloride, used as N-methyl-D-aspartate (NMDA), serotonin and nicotinic acetylcholine receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2004-12-07 US disclosed
EP-1442008-A1 UNSATURATED 1-AMINO-ALKYLCYCLOHEXANE NMDA, 5HT3 AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2004-08-04 EP disclosed
WO-2004037234-A2 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO. KGAA (DE) 2004-05-06 WO disclosed
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy MERZ PHARMA GMBH & CO. KGAA (DE) 2004-05-06 US disclosed
US-20030166634-A1 Unsaturated 1-Amino-alkylcyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2003-09-04 US disclosed
WO-2003040084-A1 UNSATURATED 1-AMINO-ALKYLCYCLOHEXANE NMDA, 5HT3 AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2003-05-15 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 (6 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 KMT2A 941/4885L3MBTL1 4273/4885GAA 212/4885
US-20100227852-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors ACHE, BACE1, CHRNE KMT2A 941/4885L3MBTL1 4273/4885GAA 212/4885
US-20160136144-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE KMT2A 212/4885L3MBTL1 3969/4885GAA 537/4885
US-20210169864-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE KMT2A 212/4885L3MBTL1 3969/4885GAA 537/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 KMT2A 1399/4885L3MBTL1 4447/4885GAA 159/4885
US-20030166634-A1 Unsaturated 1-Amino-alkylcyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, GRIN1 KMT2A 1136/4885L3MBTL1 3176/4885GAA 3288/4885

“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.