SCHEMBL292537

SCHEMBL292537

CCC12CC3CC(CC(N)(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 1.00
GRIN3B O60391 9/20 1.00
GRIN1 Q05586 9/20 1.00
GRIN2A Q12879 9/20 1.00
GRIN2B Q13224 9/20 1.00
GRIN2C Q14957 9/20 1.00
GRIN3A Q8TCU5 9/20 1.00
POLB P06746 2/20 0.56
PKM P14618 2/20 0.47
LMNA P02545 3/20 0.44
SLC22A1 O15245 2/20 0.44
SLC22A2 O15244 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
STAT6 P42226 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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 SCHEMBL31431345 0.98 GRIN1 (0.96) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL541940 0.98 GRIN1 (0.96) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2450643 0.84 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6003288 0.83 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL657942 0.80 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL292823 0.80 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL658278 0.79 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31756909 0.78 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6058620 0.78 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL657934 0.77 GRIN2D (0.62) 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 163 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
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
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
US-4346112-A Composition and method for treating patients having Parkinson's Disease UNIVERSITY PATENTS INC. (US) 1982-08-24 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 (5 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 GRIN2D 12/4885GRIN3B 7/4885GRIN1 1/4885
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT GRIN2D 12/4885GRIN3B 7/4885GRIN1 1/4885
US-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN2A, GRIN1, MAPT GRIN2D 14/4885GRIN3B 12/4885GRIN1 2/4885
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE GRIN2D 140/4885GRIN3B 109/4885GRIN1 26/4885
US-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD BACE1, BACE2, APP GRIN2D 1299/4885GRIN3B 1154/4885GRIN1 958/4885

“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.