SCHEMBL2089247

SCHEMBL2089247

FC(F)(F)Oc1ccc(CCCCCCN2CCC[N]CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.55
SLC6A3 Q01959 4/20 0.55
GRM2 Q14416 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
HRH3 Q9Y5N1 6/20 0.45
ALDH1A1 P00352 1/20 0.44
HRH1 P35367 1/20 0.44
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 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
SCHEMBL2091060 1.00 SLC6A4 (0.55) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2095427 0.99 SLC6A4 (0.56) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2096865 0.95 SLC6A4 (0.57) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2094526 0.95 GRM2 (0.54) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2089513 0.95 GRM2 (0.54) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2095841 0.94 GRM2 (0.55) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2093659 0.90 SLC6A4 (0.60) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2092480 0.90 SLC6A4 (0.55) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2092331 0.84 SLC6A4 (0.58) SLC6A4SLC6A3GRM2SIGMAR1HRH3
SCHEMBL2090818 0.84 HRH3 (0.51) SIGMAR1HRH3ALDH1A1HRH1

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 5 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

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 SLC6A4 4365/4885SLC6A3 3737/4885GRM2 146/4885

“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.