SCHEMBL657961

SCHEMBL657961

CCCCCCC12CC3CC(N)(CC(CC)(C3)C1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.71
GRIN2A Q12879 8/20 0.71
GRIN2D O15399 7/20 0.71
GRIN3B O60391 7/20 0.71
GRIN2B Q13224 7/20 0.71
GRIN2C Q14957 7/20 0.71
GRIN3A Q8TCU5 7/20 0.71
LMNA P02545 2/20 0.35
SLC22A1 O15245 1/20 0.35
ESR1 P03372 1/20 0.35
ADRB3 P13945 1/20 0.35
ACHE P22303 1/20 0.35
OPRK1 P41145 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL658755 0.98 GRIN1 (0.73) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL657543 0.95 GRIN1 (0.61) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL658850 0.95 GRIN1 (0.61) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL658357 0.93 GRIN1 (0.76) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL658179 0.93 GRIN1 (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL17451403 0.93 GRIN1 (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL659415 0.93 GRIN1 (0.63) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL658694 0.92 GRIN1 (0.58) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL657380 0.92 GRIN1 (0.61) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL658933 0.90 GRIN1 (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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 87 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
EP-2331495-B1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO KGAA (DE) 2016-01-27 EP claimed
US-8796491-B2 Process for manufacturing adamantane derivatives with high yield MERZ PHARMA GMBH & CO. KGAA (DE) 2014-08-05 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-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2011-10-27 US claimed
EP-2331495-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD Merz Pharma GmbH & Co. KGaA (DE) 2011-06-15 EP claimed
WO-2010015415-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2010-02-11 WO 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-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-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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 GRIN1 1/4885GRIN2A 2/4885GRIN2D 12/4885
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT GRIN1 1/4885GRIN2A 2/4885GRIN2D 12/4885
US-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN2A, GRIN1, MAPT GRIN1 2/4885GRIN2A 1/4885GRIN2D 14/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE GRIN1 26/4885GRIN2A 36/4885GRIN2D 140/4885
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 GRIN1 14/4885GRIN2A 13/4885GRIN2D 68/4885
US-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD BACE1, BACE2, APP GRIN1 958/4885GRIN2A 870/4885GRIN2D 1299/4885
US-20060205822-A1 1-Aminocyclohexane derivatives for the treatment of multiple sclerosis, emotional lability and pseudobulbar affect NMBR, NMUR1, CNR1 GRIN1 207/4885GRIN2A 134/4885GRIN2D 438/4885
US-20040087658-A1 Synergistic mixture; Alzheimer's disease therapy ACHE, BACE1, CHRNA5 GRIN1 24/4885GRIN2A 29/4885GRIN2D 94/4885

“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.