SCHEMBL1073402

SCHEMBL1073402

CC12CC3CC(C)(C1)CC([N+](=O)[O-])(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.43
GRIN2A Q12879 6/20 0.43
GRIN2D O15399 5/20 0.43
GRIN3B O60391 5/20 0.43
GRIN2B Q13224 5/20 0.43
GRIN2C Q14957 5/20 0.43
GRIN3A Q8TCU5 5/20 0.43
LMNA P02545 2/20 0.43
SLC22A1 O15245 1/20 0.43
ESR1 P03372 1/20 0.43
ADRB3 P13945 1/20 0.43
ACHE P22303 1/20 0.43
OPRK1 P41145 1/20 0.43
MTOR P42345 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5608934 0.96 GRIN1 (0.39) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL28118949 0.93 EPHX2 (0.39) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6228624 0.86 GRIN1 (0.58) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5608342 0.86 CRHBP (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5608709 0.82 CRHBP (0.41) CRHBPCRHR2
SCHEMBL5608320 0.82 TSHR (0.39) LMNAEPHX2CRHBPCRHR2MAPT
SCHEMBL6227897 0.78 KMT2A (0.38) HTTMEN1KMT2AEPHX2MAPT
SCHEMBL14457111 0.77 CRHBP (0.41) CRHBPCRHR2
SCHEMBL7173119 0.75 CRHBP (0.45) CRHBPCRHR2
SCHEMBL812216 0.74 GRIN1 (0.68) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735714-A Preparation method of 3, 5-dimethyl amantadine hydrochloride 苏州敬业医药化工有限公司 2021-12-03 CN claimed
CN-106187781-B A kind of preparation method of memantine 江苏红豆杉药业有限公司 2018-07-13 CN claimed
CN-106187781-A A kind of preparation method of memantine 江苏红豆杉药业有限公司 2016-12-07 CN claimed
JP-2022129646-A PRODUCTION METHOD OF MEMANTINE 国立大学法人 東京大学 2022-09-06 JP disclosed
CN-113735714-A Preparation method of 3, 5-dimethyl amantadine hydrochloride 苏州敬业医药化工有限公司 2021-12-03 CN disclosed
CN-106187781-B A kind of preparation method of memantine 江苏红豆杉药业有限公司 2018-07-13 CN disclosed
CN-106187781-A A kind of preparation method of memantine 江苏红豆杉药业有限公司 2016-12-07 CN disclosed
CN-106187781-A A kind of preparation method of memantine 江苏红豆杉药业有限公司 2016-12-07 CN disclosed
CN-103553932-B Method suitable for industrially preparing memanitine hydrochloride JIANGSU CHIATAI QINGJIANG PHARMACEUTICAL CO LTD 2015-03-25 CN disclosed
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 US disclosed
CN-101412678-B Method for synthesizing memantine hydrochloride UNIV SUZHOU 2011-07-20 CN disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
CN-101412678-A Method for synthesizing memantine hydrochloride UNIV SOOCHOW (CN) 2009-04-22 CN disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-1099684-A1 PROCESS FOR THE PREPARATION OF NITRO COMPOUNDS AND METHOD FOR THE REMOVAL OF NITROGEN DIOXIDE Daicel Chemical Industries, Ltd. (JP) 2001-05-16 EP disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP 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 (2 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT GRIN1 221/4885GRIN2A 80/4885GRIN2D 320/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 GRIN1 4826/4885GRIN2A 4854/4885GRIN2D 4867/4885

“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.