SCHEMBL2090844

SCHEMBL2090844

[CH2]CCCN1CCN(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.55
DRD2 P14416 5/20 0.55
HTR2A P28223 4/20 0.55
HTR7 P34969 3/20 0.55
HTR6 P50406 2/20 0.55
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD4 P21917 1/20 0.51
GRM2 Q14416 1/20 0.51
FAAH O00519 3/20 0.51
DRD3 P35462 3/20 0.51
AKR1C3 P42330 1/20 0.46
TTR P02766 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2091264 0.96 DRD2 (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2094159 0.94 DRD2 (0.58) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL8828520 0.85 CYP2D6 (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2095305 0.84 DRD4 (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3209314 0.84 DRD2 (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11153275 0.82 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL562406 0.82 ADRA1D (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3209304 0.81 FAAH (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2095200 0.80 SIGMAR1 (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9484192 0.80 FAAH (0.54) HTR1ADRD2HTR2AHTR7HTR6

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 409/4885HTR2A 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.