SCHEMBL658180

SCHEMBL658180

CCCCC(CCC)CC(N)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
MAPT P10636 1/20 0.39
DPP4 P27487 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 2/20 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
SCHEMBL658851 0.95 SLC22A2 (0.39) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL658695 0.93 SLC22A2 (0.45) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL657381 0.90 ALDH1A1 (0.40) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL657962 0.87 SLC22A2 (0.42) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL658279 0.83 SLC22A2 (0.48) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL658756 0.79 SLC22A2 (0.48) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL660251 0.79 SLC22A2 (0.52) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL658900 0.78 SLC22A2 (0.48) SLC22A2SLC47A1MAPTDPP4ALDH1A1
SCHEMBL657935 0.78 SLC22A2 (0.47) SLC22A2SLC47A1MAPTDPP4ALDH1A1
Hydrochloric Acid SCHEMBL1677957 0.77 MAPT (0.54) SLC22A2SLC47A1MAPTDPP4ALDH1A1

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 74 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
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-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
US-9453017-B2 Antiviral therapies with phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2016-09-27 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-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID (US) 2004-01-29 US 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 SLC22A2 2324/4885SLC47A1 2325/4885MAPT 3/4885
US-20210169864-A1 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS ACHE, PSEN1, BCHE SLC22A2 1069/4885SLC47A1 1391/4885MAPT 53/4885
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT SLC22A2 2324/4885SLC47A1 2325/4885MAPT 3/4885
US-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN2A, GRIN1, MAPT SLC22A2 1805/4885SLC47A1 2398/4885MAPT 3/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE SLC22A2 2056/4885SLC47A1 1733/4885MAPT 162/4885
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 SLC22A2 1054/4885SLC47A1 76/4885MAPT 42/4885
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD SLC22A2 4447/4885SLC47A1 2610/4885MAPT 3179/4885
US-20060205822-A1 1-Aminocyclohexane derivatives for the treatment of multiple sclerosis, emotional lability and pseudobulbar affect NMBR, NMUR1, CNR1 SLC22A2 2261/4885SLC47A1 1872/4885MAPT 328/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 SLC22A2 1893/4885SLC47A1 1560/4885MAPT 66/4885

“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.