SCHEMBL3091966

SCHEMBL3091966

CC1(C)CC(C)(C)CC(O)(CCCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.49
OPRL1 P41146 3/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL5349572 0.75 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5175182 0.72 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1HDAC3
SCHEMBL8328357 0.72 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1HDAC3
SCHEMBL11145333 0.71 OPRM1 (0.48) OPRM1OPRL1OPRD1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL7984412 0.71 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1HDAC3
SCHEMBL11481928 0.71 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1KDM4E
SCHEMBL14974909 0.70 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1HDAC3
SCHEMBL6647972 0.69 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL7689578 0.69 OPRL1 (0.63) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL28914563 0.67 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1SIGMAR1

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 15 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
EP-1485086-A1 AZABICYCLIC, AZATRICYCLIC AND AZASPIROCYCLIC DERIVATIVES OF AMINOCYCLOHEXANE AS NMDA, 5HT3, AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2004-12-15 EP 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
WO-2003080046-A1 AZABICYCLIC, AZATRICYCLIC AND AZASPIROCYCLIC DERIVATIVES OF AMINOCYCLOHEXANE NMDA, 5HT3, AND NEURONAL NICOTINIC RECEPTOR ANTAGONI STS MERZ PHARMA GMBH & CO. KGAA (DE) 2003-10-02 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 (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 OPRM1 849/4885OPRL1 428/4885OPRD1 1294/4885
US-20100227852-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors ACHE, BACE1, CHRNE OPRM1 849/4885OPRL1 428/4885OPRD1 1294/4885
US-20160136144-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE OPRM1 1131/4885OPRL1 568/4885OPRD1 1326/4885
US-20210169864-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE OPRM1 1131/4885OPRL1 568/4885OPRD1 1326/4885
US-20070185151-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A OPRM1 321/4885OPRL1 272/4885OPRD1 453/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE OPRM1 863/4885OPRL1 442/4885OPRD1 1326/4885
US-20060019983-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A OPRM1 277/4885OPRL1 245/4885OPRD1 385/4885
US-20060019982-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A OPRM1 277/4885OPRL1 245/4885OPRD1 385/4885
US-20040034055-A1 Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists GRIN3A, GRIN2A, HTR3A OPRM1 244/4885OPRL1 219/4885OPRD1 349/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 OPRM1 572/4885OPRL1 336/4885OPRD1 986/4885

“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.