SCHEMBL635664

SCHEMBL635664

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRB3 P13945 1/20 0.31
ACHE P22303 1/20 0.31
OPRK1 P41145 1/20 0.31
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL658128 1.00 ESR1 (0.38) ESR1ESR2LMNAGRIN1GRIN2A
SCHEMBL4096134 1.00 ESR1 (0.38) ESR1ESR2LMNAGRIN1GRIN2A
Ammonia Solution, Strong SCHEMBL8948373 0.97 ESR1 (0.37) ESR1ESR2LMNAGRIN1GRIN2A
SCHEMBL635941 0.85 ESR1 (0.35) ESR1ESR2
SCHEMBL5586346 0.80
SCHEMBL4413629 0.80 ESR1 (0.45) ESR1ESR2CYP2D6
SCHEMBL540773 0.79 ESR1 (0.38) ESR1ESR2LMNAGRIN1GRIN2A
SCHEMBL24927799 0.75
SCHEMBL1003423 0.74 LMNA (0.31) ESR1LMNAGRIN1GRIN2ASLC22A1
SCHEMBL910279 0.73

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 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100184-A1 SYNTHESIS OF 1-AMINO-1,3,3,5,5,-CYCLOHEXANE MESYLATE MERZ PHARMA GMBH & CO.KGAA (DE) 2012-04-26 US claimed
EP-2419402-A1 SYNTHESIS OF 1-AMINO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE MESYLATE Merz Pharma GmbH & Co. KGaA (DE) 2012-02-22 EP claimed
EP-2277850-A1 1-amino-alkylcyclohexanes as 5-HT3 and neuronal nicotinic receptor antagonists Merz Pharma GmbH & Co. KGaA (DE) 2011-01-26 EP claimed
EP-2260839-A2 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors Merz Pharma GmbH & Co. KGaA (DE) 2010-12-15 EP claimed
WO-2010118889-A1 SYNTHESIS OF 1-AMINO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE MESYLATE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-10-21 WO claimed
EP-1682109-B1 THE USE OF 1-AMINOCYCLOHEXANE DERIVATIVES TO MODIFY DEPOSITION OF FIBRILLOGENIC AS PEPTIDES IN AMYLOIDOPATHIES MERZ PHARMA GMBH & CO KGAA (DE) 2008-10-15 EP claimed
EP-1838297-A1 1-AMINOCYCLOHEXANE-DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS EMOTIONAL LABILITY AND PSEUDOBULBAR AFFECT Merz Pharma GmbH & Co. KGaA (DE) 2007-10-03 EP claimed
US-20070105961-A1 1-Amino-alkylcyclohexanes as 5-HT3 and neuronal nicotinic receptor antagonists MERZ PHARMA GMBH & CO. KGAA (DE) 2007-05-10 US claimed
US-20070082956-A1 The use of 1-amino-alkylcyclohexane compounds in the treatment of pain hypersensitivity. MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-12 US claimed
US-20060205822-A1 1-Aminocyclohexane derivatives for the treatment of multiple sclerosis, emotional lability and pseudobulbar affect FOREST LABORATORIES, INC. (US) 2006-09-14 US claimed
EP-1682109-A1 THE USE OF 1-AMINOCYCLOHEXANE DERIVATIVES TO MODIFY DEPOSITION OF FIBRILLOGENIC AS PEPTIDES IN AMYLOIDOPATHIES Merz Pharma GmbH & Co. KGaA (DE) 2006-07-26 EP claimed
WO-2006069294-A1 1-AMINOCYCLOHEXANE-DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS EMOTIONAL LABILITY AND PSEUDOBULBAR AFFECT MERZ PHARMA GMBH & CO. KGAA (DE) 2006-06-29 WO claimed
EP-1660058-A2 THE USE OF 1-AMINO-ALKYLCYCLOHEXANE COMPOUNDS IN THE TREATMENT OF PAIN HYPERSENSITIVITY Merz Pharma GmbH & Co. KGaA (DE) 2006-05-31 EP claimed
WO-2005079779-A1 THE USE OF 1-AMINOCYCLOHEXANE DERIVATIVES TO MODIFY DEPOSITION OF FIBRILLOGENIC Aß PEPTIDES IN AMYLOIDOPATHIES MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-01 WO claimed
EP-1556019-A2 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS Merz Pharma GmbH & Co. KGaA (DE) 2005-07-27 EP claimed
US-20050113458-A1 delivering to said cell an 1-aminocyclohexane derivative; for decreasing the level of at least one amyloid peptide produced by a mammalian cell that expresses amyloid precursor protein FOREST LABORATORIES, INC. (US) 2005-05-26 US claimed
WO-2005009421-A2 THE USE OF 1-AMINO-ALKYLCYCLOHEXANE COMPOUNDS IN THE TREATMENT OF PAIN HYPERSENSITIVITY MERZ PHARMA GMBH & CO. KGAA (DE) 2005-02-03 WO claimed
EP-1318800-B1 1-AMINO-ALKYLCYCLOHEXANES AS TRYPANOCIDAL AGENTS MERZ PHARMA GMBH & CO KGAA (DE) 2005-01-26 EP claimed
WO-2004037234-A2 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO. KGAA (DE) 2004-05-06 WO claimed
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy MERZ PHARMA GMBH & CO. KGAA (DE) 2004-05-06 US claimed

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-20070082956-A1 The use of 1-amino-alkylcyclohexane compounds in the treatment of pain hypersensitivity. GRIN1, OPRL1, GRIN3A ESR1 1108/4885ESR2 1429/4885LMNA 4388/4885
US-20120100184-A1 SYNTHESIS OF 1-AMINO-1,3,3,5,5,-CYCLOHEXANE MESYLATE MSMO1, ACMSD, MAT1A ESR1 2860/4885ESR2 2241/4885LMNA 2796/4885
US-20070105961-A1 1-Amino-alkylcyclohexanes as 5-HT3 and neuronal nicotinic receptor antagonists HTR3A, CHRNA3, HTR3B ESR1 3955/4885ESR2 2991/4885LMNA 2242/4885
US-20050113458-A1 delivering to said cell an 1-aminocyclohexane derivative; for decreasing the level of at least one amyloid peptide produced by a mammalian cell that expresses amyloid precursor protein APP, BACE1, PSEN1 ESR1 3538/4885ESR2 2335/4885LMNA 837/4885
US-20060205822-A1 1-Aminocyclohexane derivatives for the treatment of multiple sclerosis, emotional lability and pseudobulbar affect NMBR, NMUR1, CNR1 ESR1 1977/4885ESR2 752/4885LMNA 926/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 ESR1 719/4885ESR2 677/4885LMNA 1900/4885

“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.