SCHEMBL659628

SCHEMBL659628

CCCCCCC1CCCC(N)(C23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
EPHX2 P34913 5/20 0.33
SCN2A Q99250 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LSS P48449 2/20 0.30
EPHX1 P07099 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
SCHEMBL659691 0.99 CYP1A2 (0.37) CYP1A2EPHX2
SCHEMBL661044 0.94 CYP1A2 (0.42) CYP1A2
SCHEMBL660883 0.88 ARG1 (0.31)
SCHEMBL658480 0.82 LMNA (0.31) SIGMAR1
SCHEMBL659082 0.70 LMNA (0.34) CYP1A2SIGMAR1
SCHEMBL27929968 0.70 CYP1A2 (0.52) CYP1A2SIGMAR1
SCHEMBL30497002 0.68 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C8S1PR3SIGMAR1
SCHEMBL11125854 0.68 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C8S1PR3SIGMAR1
SCHEMBL6139215 0.66 CYP1A2 (0.56) CYP1A2S1PR3SIGMAR1LSSEPHX1
SCHEMBL11665042 0.66 CYP1A2 (0.56) CYP1A2S1PR3SIGMAR1LSSEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453017-B2 Antiviral therapies with phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2016-09-27 US claimed
US-20120157537-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID (US) 2012-06-21 US claimed
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-05-14 US claimed
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID 2009-01-01 US 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-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
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
EP-1523309-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN TAU Iqbal, Khalid (US) 2005-04-20 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
WO-2004009062-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN tau IQBAL KHALID (US) 2004-01-29 WO claimed
US-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID (US) 2004-01-29 US claimed
US-20210169864-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO KGAA (DE) 2021-06-10 US disclosed
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2017-11-09 US disclosed
WO-2004009062-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN tau IQBAL KHALID (US) 2004-01-29 WO disclosed
US-5061703-A ALZHEIMER*S DISEASE MERZ + CO. GMBH & CO. (DE) 1991-10-29 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-20120157537-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT CYP1A2 4836/4885EPHX2 4648/4885SCN2A 221/4885
US-20210169864-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE CYP1A2 511/4885EPHX2 456/4885SCN2A 475/4885
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT CYP1A2 4836/4885EPHX2 4648/4885SCN2A 221/4885
US-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN2A, GRIN1, MAPT CYP1A2 4842/4885EPHX2 4486/4885SCN2A 161/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE CYP1A2 531/4885EPHX2 319/4885SCN2A 503/4885
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 CYP1A2 3220/4885EPHX2 2554/4885SCN2A 128/4885
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD CYP1A2 4284/4885EPHX2 1100/4885SCN2A 4749/4885
US-20060205822-A1 1-Aminocyclohexane derivatives for the treatment of multiple sclerosis, emotional lability and pseudobulbar affect NMBR, NMUR1, CNR1 CYP1A2 3975/4885EPHX2 2052/4885SCN2A 103/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 CYP1A2 608/4885EPHX2 289/4885SCN2A 439/4885

“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.