SCHEMBL6789650

SCHEMBL6789650

O=C1CCC(CCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.69
GLS O94925 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7407102 0.90 ACHE (0.78) ACHEGLSHTR1AHTR7HRH1
SCHEMBL16015939 0.85 ACHE (0.56) ACHEGLSHTR1AHTR7HRH1
Methyl Alcohol SCHEMBL28751304 0.85 ACHE (0.77) ACHEGLSCYP1A2CYP2C9CYP2C19
SCHEMBL4245809 0.85 ACHE (0.71) ACHEGLSHTR1AHTR7HRH1
SCHEMBL5109433 0.83 CYP1A2 (0.51) ACHEGLSCYP1A2CYP2C9CYP2C19
SCHEMBL6950324 0.82 ACHE (1.00) ACHE
SCHEMBL4632588 0.82 ACHE (0.68) ACHEGLSHTR1AHTR7HRH1
Hydrochloric Acid SCHEMBL11718055 0.81 ACHE (0.66) ACHEGLSHTR1AHTR7HRH1
SCHEMBL27682918 0.78 ACHE (0.76) ACHE
SCHEMBL7451684 0.78 ACHE (0.62) ACHEGLSHTR1AHTR7HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1545508-B 1,2,4-trioxolane antimalarials MEDICINES MALARIA VENTURE MMV 2012-06-06 CN disclosed
US-6825230-B2 PEROXY COMPOUNDS SUCH AS ADAMANTANE-2-SPIRO-3'-8'-((1'S)-10'-CAMPHORSULFONYL)-1',2',4'-TRIOXA-8' -AZASPIRO(4.5) DECANE, USED FOR PROPHYLAXIS OF MALARIA OR SCHISTOSOMIASIS INFECTIONS MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-11-30 US disclosed
CN-1545508-A 1,2,4-trioxolane antimalarials ű��ҩ�﹫˾ 2004-11-10 CN disclosed
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURES MMV (CH) 2004-02-26 US disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 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 (1 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-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE ACHE 2333/4885GLS 2647/4885HTR1A 1292/4885

“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.