SCHEMBL21036696

SCHEMBL21036696

NCC1(c2cccc(OCCO[N+](=O)[O-])c2)C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.37
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA9 Q16790 3/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
TLR4 O00206 3/20 0.32
TLR2 O60603 3/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL21036698 0.94 CA12 (0.40) HSD11B1CA12CA1CA2CA4
SCHEMBL21036704 0.91 HSD11B1 (0.36) HSD11B1CA12CA1CA2CA4
SCHEMBL21036694 0.86 TLR4 (0.36) HSD11B1CA12CA1CA2CA4
SCHEMBL22732938 0.86 CA12 (0.39) HSD11B1CA12CA1CA2CA4
SCHEMBL21036617 0.85 HSD11B1 (0.32) HSD11B1
SCHEMBL21036695 0.85 HSD11B1 (0.41) HSD11B1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL21036620 0.83 PTGS2 (0.34) HSD11B1CHRNB2CHRNA4
SCHEMBL21036702 0.83 HSD11B1 (0.38) HSD11B1
SCHEMBL25799587 0.81 GRIN1 (0.39) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL21036706 0.81 CA12 (0.41) 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 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 1331/4885CA12 1324/4885CA1 1320/4885
US-20230130425-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS NLN, SLC1A2, AANAT HSD11B1 1331/4885CA12 1324/4885CA1 1320/4885
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS ACE2, ACE, MME HSD11B1 14/4885CA12 1135/4885CA1 2287/4885

“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.