SCHEMBL2094777

SCHEMBL2094777

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
HTR1A P08908 4/20 0.60
HTR2A P28223 3/20 0.60
DRD3 P35462 2/20 0.60
SLC6A4 P31645 3/20 0.57
SLC6A2 P23975 2/20 0.57
DRD4 P21917 2/20 0.56
HTR7 P34969 4/20 0.50
HTR6 P50406 2/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KCNH2 Q12809 1/20 0.47
GRM2 Q14416 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL2091565 0.95 DRD2 (0.59) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL2096175 0.94 DRD2 (0.57) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL2093690 0.90 HTR1A (0.56) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL2056123 0.84 DRD2 (0.60) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL8786047 0.83 CA2 (0.51) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL3201642 0.83 DRD2 (0.59) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL2090542 0.82 SIGMAR1 (0.69) DRD2HTR1ADRD3HTR7ADRA1A
SCHEMBL2095204 0.82 DRD2 (0.58) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL5546416 0.81 HTR1A (0.56) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL13080288 0.81 DRD2 (0.62) DRD2HTR1AHTR2ADRD3SLC6A4

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 DRD2 409/4885HTR1A 3561/4885HTR2A 3100/4885

“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.