SCHEMBL2097950

SCHEMBL2097950

[CH2]CCCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.61
HTR1A P08908 8/20 0.61
DRD3 P35462 8/20 0.61
HTR2A P28223 7/20 0.61
TMEM97 Q5BJF2 4/20 0.61
SIGMAR1 Q99720 4/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 3/20 0.61
HRH1 P35367 3/20 0.56
HTR2C P28335 2/20 0.56
DRD4 P21917 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL2090615 0.98 DRD2 (0.59) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL2095204 0.95 DRD2 (0.58) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL8011318 0.91 DRD2 (0.69) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL2091554 0.88 HTR1A (0.56) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL3197906 0.83 CYP2D6 (0.63) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL9757322 0.83 HTR1A (0.61) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL9757260 0.83 DRD2 (0.61) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL13875126 0.83 KDM4E (0.69) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL2094432 0.83 KDM4E (0.69) DRD2HTR1ADRD3HTR2ATMEM97
SCHEMBL2091821 0.83 KCNH2 (0.79) DRD2HTR1ADRD3HTR2ATMEM97

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 3561/4885DRD3 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.