SCHEMBL2094863

SCHEMBL2094863

[CH2]CCCOCCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
HRH1 P35367 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
CHRM4 P08173 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TAAR1 Q96RJ0 2/20 0.42
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3E A5X5Y0 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
SCHEMBL9021284 0.94 SLC6A2 (0.46) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021024 0.93 KCNH2 (0.45) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021130 0.93 KCNH2 (0.45) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9154990 0.92 KCNH2 (0.55) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021742 0.91 KCNH2 (0.50) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021947 0.89 KCNH2 (0.49) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021171 0.89 KCNH2 (0.49) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021389 0.89 KCNH2 (0.49) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021254 0.88 TAAR1 (0.45) SLC6A2HRH1HRH3KCNH2CHRM2
SCHEMBL9021407 0.87 KCNH2 (0.54) SLC6A2HRH1HRH3KCNH2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0500853-B1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM THOMAE GMBH DR K (DE) 1996-12-27 EP disclosed
US-5393774-A Antispasmodic agents PIEPER HELMUT (DE) 1995-02-28 US disclosed
EP-0500853-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. THOMAE GMBH DR K (DE) 1992-09-02 EP disclosed
WO-1992004316-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1992-03-19 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SLC6A2 3591/4885HRH1 501/4885HRH3 538/4885

“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.