SCHEMBL21036610

SCHEMBL21036610

NCCC1(c2cccc(CC(CO[N+](=O)[O-])O[N+](=O)[O-])c2)C2CC3CC(C2)CC1C3

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL22733129 0.92 HSD11B1 (0.34) HSD11B1PTGS1PTGS2
SCHEMBL21036623 0.91 HSD11B1 (0.32) HSD11B1PTGS1PTGS2
SCHEMBL21036629 0.89 HSD11B1 (0.31) HSD11B1PTGS1PTGS2
SCHEMBL21036611 0.86 PTGS1 (0.34) HSD11B1PTGS1PTGS2
SCHEMBL21036628 0.86 PTGS2 (0.33) HSD11B1PTGS1PTGS2
SCHEMBL22732939 0.84 HSD11B1 (0.38) HSD11B1
SCHEMBL21036613 0.83 HSD11B1 (0.31) HSD11B1PTGS1PTGS2
SCHEMBL21036627 0.83 HSD11B1 (0.33) HSD11B1PTGS1PTGS2
SCHEMBL21036622 0.82 HSD11B1 (0.34) HSD11B1PTGS1PTGS2
SCHEMBL21036701 0.82 HSD11B1 (0.37) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. 2023-07-13 US disclosed
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 (3 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 HSD11B1 1331/4885PTGS1 1526/4885PTGS2 1836/4885
US-20230130425-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS NLN, SLC1A2, AANAT HSD11B1 1331/4885PTGS1 1526/4885PTGS2 1836/4885
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS ACE2, ACE, MME HSD11B1 14/4885PTGS1 350/4885PTGS2 747/4885

“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.