SCHEMBL2091301

SCHEMBL2091301

[CH2]CCCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 5/20 0.45
HTR1A P08908 4/20 0.45
HTR2A P28223 4/20 0.45
DRD3 P35462 4/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HRH1 P35367 3/20 0.44
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTR7 P34969 2/20 0.43
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL2094768 0.99 SLC6A2 (0.48) KCNH2SLC6A2SLC6A4HSD17B10DRD2
SCHEMBL2095351 0.94 HSD17B10 (0.49) KCNH2SLC6A2SLC6A4HSD17B10DRD2
SCHEMBL2093175 0.90 ALDH1A1 (0.50) SLC6A2SLC6A4HSD17B10DRD2HTR1A
SCHEMBL2092653 0.84 KCNH2 (0.58) KCNH2DRD2HTR1AHTR2ADRD3
SCHEMBL2056156 0.83 DRD2 (0.56) KCNH2SLC6A2SLC6A4HSD17B10DRD2
SCHEMBL2096175 0.82 DRD2 (0.57) KCNH2SLC6A2SLC6A4DRD2HTR1A
SCHEMBL5544228 0.80 SIGMAR1 (0.52) SLC6A4DRD2HTR1AHTR2ADRD3
SCHEMBL5540600 0.80 SIGMAR1 (0.52) SLC6A4DRD2HTR1AHTR2ADRD3
SCHEMBL5544222 0.80 SIGMAR1 (0.52) KCNH2SLC6A2SLC6A4DRD2HTR1A
SCHEMBL5540593 0.80 SIGMAR1 (0.52) KCNH2SLC6A2SLC6A4DRD2HTR1A

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 KCNH2 3121/4885SLC6A2 3591/4885SLC6A4 4365/4885

“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.