SCHEMBL21036616

SCHEMBL21036616

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
TLR4 O00206 1/20 0.30
TLR2 O60603 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
SCHEMBL21036626 0.91 PTGS1 (0.32) PTGS2PTGS1TLR4TLR2
SCHEMBL21036620 0.88 PTGS2 (0.34) PTGS2PTGS1CHRNB2CHRNA4
SCHEMBL21036628 0.86 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL21036611 0.84 PTGS1 (0.34) PTGS2PTGS1
SCHEMBL21036612 0.83 PTGS1 (0.33) PTGS2PTGS1
SCHEMBL21036694 0.83 TLR4 (0.36) CHRNB2CHRNA4TLR4TLR2
SCHEMBL21036706 0.82 CA12 (0.41) CHRNB2CHRNA4TLR4TLR2
SCHEMBL21036614 0.81 PTGS1 (0.32) PTGS2PTGS1
SCHEMBL21036618 0.80 GSR (0.35) PTGS2PTGS1
SCHEMBL21036691 0.78 KDM1A (0.33) CHRNB2CHRNA4

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 PTGS2 1836/4885PTGS1 1526/4885CHRNB2 121/4885
US-20230130425-A1 AMINOADAMANTYL NITRATE COMPOUNDS AND THEIR USE TO TREAT CNS DISORDERS NLN, SLC1A2, AANAT PTGS2 1836/4885PTGS1 1526/4885CHRNB2 121/4885
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS ACE2, ACE, MME PTGS2 747/4885PTGS1 350/4885CHRNB2 491/4885

“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.