SCHEMBL4477251

SCHEMBL4477251

O=[N+]([O-])NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
EPHX1 P07099 2/20 0.48
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL23833808 0.98 EPHX2 (0.46) EPHX2EPHX1GRIN2DGRIN3BGRIN1
Nitric Acid SCHEMBL28246395 0.68 NPC1 (0.46) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL1200529 0.67 GRIN2D (0.35) EPHX2EPHX1GRIN2DGRIN3BGRIN1
Nitric Acid SCHEMBL27581626 0.67 EPHX2 (0.39) EPHX2EPHX1L3MBTL1ALDH1A1RAB9A
SCHEMBL2365754 0.66 GRIN2D (0.52) EPHX2EPHX1GRIN2DGRIN3BGRIN1
Amantadine SCHEMBL21801809 0.65 GRIN2D (0.59) EPHX2EPHX1GRIN2DGRIN3BGRIN1
Amantadine SCHEMBL21801807 0.65 LMNA (0.64) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL18884208 0.65 EPHX2 (0.73) EPHX2EPHX1KMT2AJAK2ALDH1A1
SCHEMBL3069160 0.65 EPHX2 (1.00) EPHX2EPHX1L3MBTL1JAK2ALDH1A1
SCHEMBL3073973 0.65 EPHX2 (1.00) EPHX2EPHX1ALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4710845-A2 METHODS FOR TREATING AUTISM SPECTRUM DISORDER The General Hospital Corporation (US) 2026-03-18 EP claimed
US-20240130675-A1 Methods for Treating Autism Spectrum Disorder THE GENERAL HOSPITAL CORPORATION 2024-04-25 US claimed
EP-4288150-A1 METHODS FOR TREATING AUTISM SPECTRUM DISORDER The General Hospital Corporation (US) 2023-12-13 EP claimed
CN-117202846-A Method of treatment of autism spectrum disorders 总医院公司 2023-12-08 CN claimed
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. 2023-07-13 US claimed
EP-4121403-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS Eumentis Therapeutics, Inc. (US) 2023-01-25 EP claimed
WO-2022169822-A1 METHODS FOR TREATING AUTISM SPECTRUM DISORDER THE GENERAL HOSPITAL CORPORATION (US) 2022-08-11 WO claimed
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 claimed
WO-2021188864-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. (US) 2021-09-23 WO claimed
EP-4710845-A2 METHODS FOR TREATING AUTISM SPECTRUM DISORDER The General Hospital Corporation (US) 2026-03-18 EP disclosed
US-20240130675-A1 Methods for Treating Autism Spectrum Disorder THE GENERAL HOSPITAL CORPORATION 2024-04-25 US disclosed
EP-4288150-A1 METHODS FOR TREATING AUTISM SPECTRUM DISORDER The General Hospital Corporation (US) 2023-12-13 EP disclosed
CN-117202846-A Method of treatment of autism spectrum disorders 总医院公司 2023-12-08 CN disclosed
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. 2023-07-13 US disclosed
WO-2021188864-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021188864-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-20090234021-A1 Treatment of Demyelinating Conditions LIPTON STUART A 2009-09-17 US disclosed
EP-1613155-A2 TREATMENT OF DEMYELINATING CONDITIONS Neuromolecular Inc. (US) 2006-01-11 EP disclosed
US-20050065219-A1 Treatment of demyelinating conditions NEUROMOLECULAR, INC. 2005-03-24 US disclosed
WO-2004087073-A2 TREATMENT OF DEMYELINATING CONDITIONS NEUROMOLECULAR, INC. (US) 2004-10-14 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 (4 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-20090234021-A1 Treatment of Demyelinating Conditions PMP22, MAG, MYT1 EPHX2 1332/4885EPHX1 944/4885GRIN2D 1269/4885
US-20050065219-A1 Treatment of demyelinating conditions PMP22, MAG, MYT1 EPHX2 1332/4885EPHX1 944/4885GRIN2D 1269/4885
US-20240130675-A1 Methods for Treating Autism Spectrum Disorder GRIN2A, GRIN1, GRM2 EPHX2 1871/4885EPHX1 1440/4885GRIN2D 15/4885
US-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS ACE2, ACE, MME EPHX2 2171/4885EPHX1 1123/4885GRIN2D 1434/4885

“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.