SCHEMBL5541361

SCHEMBL5541361

[c]1ccc(N2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.78
DRD2 P14416 1/20 0.78
MAPT P10636 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SIGMAR1 Q99720 6/20 0.64
SLC6A3 Q01959 1/20 0.56
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53

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
SCHEMBL5542427 0.91 SIGMAR1 (0.79) HTR1ADRD2SIGMAR1
SCHEMBL5539987 0.89 SIGMAR1 (0.80) HTR1ADRD2SIGMAR1
SCHEMBL6509439 0.88 DRD2 (1.00) HTR1ADRD2MAPTNPSR1SIGMAR1
SCHEMBL5541433 0.88 SIGMAR1 (0.78) HTR1ADRD2SIGMAR1
SCHEMBL5541878 0.88 SIGMAR1 (0.78) HTR1ADRD2SIGMAR1
SCHEMBL188941 0.83 DRD4 (0.77) HTR1ADRD2SIGMAR1
SCHEMBL28668660 0.83 DRD2 (0.71) HTR1ADRD2MAPTNPSR1SIGMAR1
SCHEMBL20765517 0.83 HTR1A (0.71) HTR1ADRD2MAPTNPSR1SIGMAR1
SCHEMBL7977889 0.81 HTR1A (0.78) HTR1ADRD2MAPTNPSR1SIGMAR1
SCHEMBL2766366 0.81 HTR1A (0.78) HTR1ADRD2MAPTNPSR1SIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HTR1A 4141/4885DRD2 542/4885MAPT 4117/4885

“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.