SCHEMBL2097964

SCHEMBL2097964

[CH2]CCCCN1CCN(c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
DRD2 P14416 4/20 0.51
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
HTR7 P34969 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
NLRP1 Q9C000 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 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
SCHEMBL2094204 0.99 HTR1A (0.52) HTR1ADRD2DRD3DRD4ALDH1A1
SCHEMBL2091611 0.96 DRD2 (0.52) HTR1ADRD2DRD3DRD4ALDH1A1
SCHEMBL2088381 0.91 DRD2 (0.50) HTR1ADRD2DRD3ALDH1A1LMNA
SCHEMBL8828778 0.85 DRD2 (0.53) HTR1ADRD2DRD3DRD4ALDH1A1
SCHEMBL7733968 0.82 DRD2 (0.50) HTR1ADRD2DRD3DRD4ADRA1D
SCHEMBL7733978 0.82 DRD2 (0.50) HTR1ADRD2DRD3DRD4MAPT
SCHEMBL21986289 0.82 DRD2 (0.54) HTR1ADRD2DRD3DRD4ADRA1D
SCHEMBL2091264 0.80 DRD2 (0.57) HTR1ADRD2DRD3DRD4LMNA
SCHEMBL7605693 0.80 HTR1A (0.48) HTR1ADRD2DRD3DRD4HTR7
SCHEMBL2094159 0.78 DRD2 (0.58) HTR1ADRD2DRD3DRD4LMNA

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 HTR1A 3561/4885DRD2 409/4885DRD3 441/4885

“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.