SCHEMBL2095351

SCHEMBL2095351

[CH2]CCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 6/20 0.47
HTR1A P08908 5/20 0.47
HTR2A P28223 5/20 0.47
DRD3 P35462 5/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HRH1 P35367 4/20 0.46
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
HTR7 P34969 2/20 0.45
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.43
KCNA5 P22460 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 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 0.96 SLC6A2 (0.48) HSD17B10DRD2HTR1AHTR2ADRD3
SCHEMBL2091301 0.94 KCNH2 (0.49) HSD17B10DRD2HTR1AHTR2ADRD3
SCHEMBL2093175 0.93 ALDH1A1 (0.50) HSD17B10DRD2HTR1AHTR2ADRD3
SCHEMBL2056156 0.86 DRD2 (0.56) HSD17B10DRD2HTR1AHTR2ADRD3
SCHEMBL2090503 0.85 KCNH2 (0.56) DRD2HTR1AHTR2ADRD3HRH1
SCHEMBL2092653 0.81 KCNH2 (0.58) DRD2HTR1AHTR2ADRD3HRH1
SCHEMBL2094777 0.81 DRD2 (0.60) DRD2HTR1AHTR2ADRD3SLC6A2
SCHEMBL5540165 0.79 ALDH1A1 (0.54) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL5540158 0.79 SIGMAR1 (0.50) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL19538665 0.79 TSHR (0.68) HSD17B10DRD2ALDH1A1TSHRKCNA5

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 HSD17B10 363/4885DRD2 409/4885HTR1A 3561/4885

“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.