SCHEMBL292935

SCHEMBL292935

NC12CC3CC(C1)CC(C1CCCCC1)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
LMNA P02545 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
STAT6 P42226 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 2/20 0.39
THRB P10828 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 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
Hydrochloric Acid SCHEMBL7300095 0.98 LMNA (0.43) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL183881 0.98 PKM (0.45) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6900749 0.85 GAA (0.33) SMN1; SMN2
SCHEMBL658298 0.82 LMNA (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15922703 0.75 EPHX1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL294644 0.75 EPHX1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21911249 0.74
SCHEMBL659081 0.73 GRIN1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22193941 0.73 PKM (0.31) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15922722 0.73 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 106 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-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
CN-1282452-C Use of aminoadamantane compounds as immunomodulators MERZ & CO GMBH & CO (DE) 2006-11-01 CN 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-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
EP-1293201-A2 Use of aminoadamantane compounds as immunoregulators Merz Pharma GmbH & Co.KGaA (DE) 2003-03-19 EP claimed
EP-0845984-B1 USE OF AMINOADAMANTANE COMPOUNDS AS IMMUNOREGULATORS MERZ PHARMA GMBH & CO KGAA (DE) 2003-03-12 EP claimed
US-6255348-B1 AIDS THERAPY MERZ + CO. GMBH & CO. (DE) 2001-07-03 US claimed
US-6172116-B1 NEUTROPHIL ACTIVATION; TREATING AUTOIMMUNE DISEASES MERZ + CO. GMBH & CO. (DE) 2001-01-09 US claimed
CN-1198669-A Use of aminoadamantane compounds as immunomodulators MERZ & CO GMBH & CO (DE) 1998-11-11 CN claimed
EP-0845984-A1 USE OF AMINOADAMANTANE COMPOUNDS AS IMMUNOREGULATORS MERZ + CO. GmbH & Co. (DE) 1998-06-10 EP claimed
WO-1997007791-A1 USE OF AMINOADAMANTANE COMPOUNDS AS IMMUNOREGULATORS MERZ + CO. GMBH & CO. (DE) 1997-03-06 WO claimed
EP-0392059-B1 USE OF ADAMANTANE DERIVATIVES IN THE PREVENTION AND TREATMENT OF CEREBRAL ISCHEMIA Merz & Co. GmbH & Co. (DE) 1993-09-15 EP claimed
EP-0392059-A1 Use of adamantane derivatives in the prevention and treatment of cerebral ischemia Merz & Co. GmbH & Co. (DE) 1990-10-17 EP 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 (4 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 PKM 1163/4885GRIN2D 12/4885GRIN3B 7/4885
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT PKM 1163/4885GRIN2D 12/4885GRIN3B 7/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE PKM 4024/4885GRIN2D 140/4885GRIN3B 109/4885
US-20060205822-A1 1-Aminocyclohexane derivatives for the treatment of multiple sclerosis, emotional lability and pseudobulbar affect NMBR, NMUR1, CNR1 PKM 3751/4885GRIN2D 438/4885GRIN3B 327/4885

“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.