Sugi Predict

Sugi Predict / Compounds / SCHEMBL4575719

SCHEMBL4575719

SCHEMBL4575719

O=C(O)C1CC(/C=C\CP(=O)(O)O)CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.54
▸ GRIN2D O15399 3/20 0.54
▸ GRIN3B O60391 3/20 0.54
▸ GRIN1 Q05586 3/20 0.54
▸ GRIN2A Q12879 3/20 0.54
▸ GRIN2B Q13224 3/20 0.54
▸ GRIN2C Q14957 3/20 0.54
▸ GRIN3A Q8TCU5 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ GRIA1 P42261 1/20 0.54
▸ GRIA2 P42262 1/20 0.54
▸ GRIA3 P42263 1/20 0.54
▸ GRIA4 P48058 1/20 0.54
▸ MAPT P10636 1/20 0.39
▸ ARG1 P05089 1/20 0.39

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
SCHEMBL4575717 1.00 THRB (0.54) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4575725 1.00 THRB (0.54) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4575714 1.00 THRB (0.54) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4575721 1.00 THRB (0.54) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9602849 0.81 MEN1 (0.35) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10673890 0.80 MEN1 (0.33) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22346497 0.71 MEN1 (0.45) THRBGRIN2DGRIN3BGRIN1GRIN2A
Selfotel SCHEMBL16392882 0.70 MEN1 (1.00) THRBGRIN2DGRIN3BGRIN1GRIN2A
Selfotel SCHEMBL20553546 0.70 MEN1 (1.00) THRBGRIN2DGRIN3BGRIN1GRIN2A
Selfotel SCHEMBL120236 0.70 MEN1 (1.00) THRBGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614509-A Pharmaceutical agents for preventing the development of tolerance during the treatment with benzodiazepine-receptor-binding active ingredients SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 — — US claimed
EP-0488959-A2 New uses of competitive NMDA receptor antagonists SANDOZ LTD. (CH) 1992-06-03 — — EP claimed
US-20220054435-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY STUART L. WEG 2022-02-24 — — US disclosed
US-20160175266-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY INNOVATIVE DRUG DELIVERY SYSTEMS, INC. 2016-06-23 — — US disclosed
US-20160000733-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY INNOVATIVE DRUG DELIVERY SYSTEMS, INC. 2016-01-07 — — US disclosed
US-20140171514-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY STUART L. WEG (US) 2014-06-19 — — US disclosed
US-20080041367-A1 NMDA Receptor Antagonist Formulation With Reduced Neurotoxicity JAVELIN PHARMACEUTICALS, INC. 2008-02-21 — — US disclosed
US-7273889-B2 Administering ketamine in mixture with carrier; side effect reduction INNOVATIVE DRUG DELIVERY SYSTEMS, INC. (US) 2007-09-25 — — US disclosed
EP-1562566-A1 ANALGESIC COMPOSITIONS COMPRISING NMDA RECEPTOR ANTAGONISTS AND BENZALKONIUM CHLORIDE Innovative Drug Delivery Systems, Inc. (US) 2005-08-17 — — EP disclosed
US-20040138298-A1 Administering ketamine with preservative; side effect reduction; analgesics, anesthetics INNOVATIVE DRUG DELIVERY SYSTEMS, INC. 2004-07-15 — — US disclosed
WO-2004028522-A1 ANALGESIC COMPOSITIONS COMPRISING NMDA RECEPTOR ANTAGONISTS AND BENZALKONIUM CHLORIDE INNOVATIVE DRUG DELIVERY SYSTEMS, INC. (US) 2004-04-08 — — WO disclosed
US-20040059003-A1 Administering ketamine in mixture with carrier; side effect reduction INNOVATIVE DRUG DELIVERY SYSTEMS, INC. 2004-03-25 — — US disclosed
US-5614509-A Pharmaceutical agents for preventing the development of tolerance during the treatment with benzodiazepine-receptor-binding active ingredients SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 — — US disclosed
US-5385903-A Pharmaceutical agent for treatment of withdrawal symptoms SCHERING AKTIENGESELLSCHAFT (DE) 1995-01-31 — — US disclosed
EP-0488959-A2 New uses of competitive NMDA receptor antagonists SANDOZ LTD. (CH) 1992-06-03 — — EP 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 (6 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-20160175266-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY GRIN3A, GRIN2B, GRIN2A THRB 907/4885GRIN2D 9/4885GRIN3B 7/4885
US-20160000733-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY GRIN3A, GRIN2B, GRIN2A THRB 907/4885GRIN2D 9/4885GRIN3B 7/4885
US-20040059003-A1 Administering ketamine in mixture with carrier; side effect reduction OPRL1, GRIN3A, GRIN2B THRB 976/4885GRIN2D 19/4885GRIN3B 8/4885
US-20140171514-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY GRIN3A, GRIN2B, GRIN2A THRB 907/4885GRIN2D 9/4885GRIN3B 7/4885
US-20040138298-A1 Administering ketamine with preservative; side effect reduction; analgesics, anesthetics SIGMAR1, KCNAB1, KCNH2 THRB 562/4885GRIN2D 89/4885GRIN3B 60/4885
US-20220054435-A1 NMDA RECEPTOR ANTAGONIST FORMULATION WITH REDUCED NEUROTOXICITY GRIN3A, GRIN2B, GRIN2A THRB 907/4885GRIN2D 9/4885GRIN3B 7/4885

“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.