SCHEMBL4879050

SCHEMBL4879050

CCN(CC)c1cc(N2CCN(CC(=O)[C@H]3C(C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@]34C)CC2)nc(N(CC)CC)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.75
PGR P06401 2/20 0.75
AR P10275 2/20 0.75
EGFR P00533 1/20 0.75
LCK P06239 1/20 0.75
FYN P06241 1/20 0.75
ADRB2 P07550 1/20 0.75
CHRM2 P08172 1/20 0.75
ADRA2A P08913 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
ADRA2C P18825 1/20 0.75
DRD1 P21728 1/20 0.75
PTGS1 P23219 1/20 0.75
HRH2 P25021 1/20 0.75
MAPK3 P27361 1/20 0.75
PDE4A P27815 1/20 0.75
HTR2A P28223 1/20 0.75
HTR2C P28335 1/20 0.75
DRD3 P35462 1/20 0.75
HTR2B P41595 1/20 0.75

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
SCHEMBL4879047 1.00 KCNH2 (0.75) KCNH2PGRAREGFRLCK
SCHEMBL9200483 0.90 KCNH2 (0.72) KCNH2PGRAREGFRLCK
SCHEMBL9200472 0.90 KCNH2 (0.72) KCNH2PGRAREGFRLCK
Hydrochloric Acid SCHEMBL9210207 0.90 KCNH2 (0.71) KCNH2PGRAREGFRLCK
Hydrochloric Acid SCHEMBL9210199 0.90 KCNH2 (0.71) KCNH2PGRAREGFRLCK
SCHEMBL7524810 0.87 KCNH2 (0.71) KCNH2PGRAREGFRLCK
SCHEMBL7524804 0.87 KCNH2 (0.71) KCNH2PGRAREGFRLCK
SCHEMBL8745521 0.86 KCNH2 (0.66) KCNH2PGRAREGFRLCK
SCHEMBL8745497 0.86 KCNH2 (0.66) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL483318 0.86 PGR (1.00) KCNH2PGRAREGFRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154647-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2023-08-17 WO claimed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US claimed
WO-2005016243-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANTIOXIDANT AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA CORPORATION (US) 2005-02-24 WO claimed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 EP claimed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 EP claimed
US-5175281-A Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders THE UPJOHN COMPANY (US) 1992-12-29 US claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
WO-2023154647-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2023-08-17 WO disclosed
US-8486374-B2 Alcohol-free drug or cosmetics carrier mixture of water, hydrophobic solvent, surfactant and gelling agent; oil in water emulsions FOAMIX LTD. (IL) 2013-07-16 US disclosed
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-12-04 US disclosed
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT FOAMIX PHARMACEUTICALS LTD. (IL) 2008-11-27 US disclosed
US-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF FOAMIX PHARMACEUTICALS LTD. (IL) 2008-08-28 US disclosed
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD 2008-03-13 US disclosed
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD. (IL) 2007-12-20 US disclosed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US disclosed
WO-2005016243-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANTIOXIDANT AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA CORPORATION (US) 2005-02-24 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 (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-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 KCNH2 4139/4885PGR 3350/4885AR 4665/4885
US-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF NR5A1, CYP17A1, LIPA KCNH2 1884/4885PGR 129/4885AR 203/4885
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT SSTR2, SSTR3, LPXN KCNH2 3285/4885PGR 53/4885AR 128/4885
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 KCNH2 3257/4885PGR 301/4885AR 1197/4885
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 KCNH2 3257/4885PGR 301/4885AR 1197/4885
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES LIPA, PHOSPHO1, MYO1G KCNH2 2986/4885PGR 11/4885AR 2228/4885

“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.