SCHEMBL21036706

SCHEMBL21036706

NC1(c2cccc(OCCCO[N+](=O)[O-])c2)C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA9 Q16790 3/20 0.41
TLR4 O00206 3/20 0.36
TLR2 O60603 3/20 0.36
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL21036694 0.94 TLR4 (0.36) CA12CA1CA2CA4CA9
SCHEMBL21036698 0.87 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL22732938 0.85 CA12 (0.39) CA12CA1CA2CA4CA9
SCHEMBL21036700 0.84 HSD11B1 (0.33) CA12CA1CA2CA4CA9
SCHEMBL21036626 0.84 PTGS1 (0.32) TLR4TLR2
SCHEMBL22732937 0.83 CA12 (0.33) CA12CA1CA2CA4CA9
SCHEMBL21036616 0.82 PTGS2 (0.35) TLR4TLR2CHRNB2CHRNA4
SCHEMBL21036691 0.82 KDM1A (0.33) CHRNB2CHRNA4GRIN1GRIN2AGRIN2B
SCHEMBL21036703 0.81 HSD11B1 (0.34)
SCHEMBL21036696 0.81 HSD11B1 (0.37) CA12CA1CA2CA4CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130425-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS PANORAMA RESEARCH, INC. 2023-04-27 US disclosed
US-20230130425-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS PANORAMA RESEARCH, INC. 2023-04-27 US disclosed
WO-2021231582-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF NEGATIVE SYMPTOMS AND COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA EUMENTIS THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed
WO-2021188864-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-20200377444-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS PANORAMA RESEARCH, INC. 2020-12-03 US disclosed
WO-2019104020-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS PANORAMA RESEARCH, INC. (US) 2019-05-31 WO 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-20200377444-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS NLN, SLC1A2, AANAT CA12 1324/4885CA1 1320/4885CA2 1436/4885
US-20230130425-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS NLN, SLC1A2, AANAT CA12 1324/4885CA1 1320/4885CA2 1436/4885

“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.