SCHEMBL21036692

SCHEMBL21036692

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.38
HSD11B1 P28845 7/20 0.34
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
KDM1A O60341 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL21036703 0.88 HSD11B1 (0.34) HSD11B1KDM1A
SCHEMBL21036700 0.86 HSD11B1 (0.33) HSD11B1CA12CA1CA2CA4
SCHEMBL22733040 0.85 HSD11B1 (0.39) TMEM97HSD11B1MAOAACHEMAOB
SCHEMBL25799883 0.85 HSD11B1 (0.32) HSD11B1
SCHEMBL22732937 0.85 CA12 (0.33) HSD11B1CA12CA1CA2CA4
SCHEMBL22732939 0.83 HSD11B1 (0.38) TMEM97HSD11B1MAOAACHEMAOB
SCHEMBL21036611 0.82 PTGS1 (0.34) HSD11B1
SCHEMBL21036612 0.81 PTGS1 (0.33)
SCHEMBL21036694 0.80 TLR4 (0.36) HSD11B1MAOAMAOBCA12CA1
SCHEMBL21036706 0.79 CA12 (0.41) MAOAACHEMAOBCA12CA1

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 TMEM97 2285/4885HSD11B1 1331/4885MAOA 97/4885
US-20230130425-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS NLN, SLC1A2, AANAT TMEM97 2285/4885HSD11B1 1331/4885MAOA 97/4885
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS ACE2, ACE, MME TMEM97 3502/4885HSD11B1 14/4885MAOA 695/4885

“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.