SCHEMBL5548733

SCHEMBL5548733

[CH2]c1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.77
SIGMAR1 Q99720 2/20 0.62
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
DRD2 P14416 3/20 0.56
DRD3 P35462 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 1/20 0.55
HTR7 P34969 1/20 0.54
KDM1A O60341 1/20 0.53
MC4R P32245 1/20 0.53
HTR1A P08908 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
SCHEMBL6031812 0.87 DRD4 (1.00) DRD4SIGMAR1DRD2DRD3HTR7
SCHEMBL5545938 0.85 SIGMAR1 (0.65) DRD4SIGMAR1DRD2DRD3L3MBTL1
SCHEMBL6794331 0.84 DRD4 (0.79) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL588149 0.84 DRD4 (1.00) DRD4SIGMAR1HTR2CDRD2DRD3
SCHEMBL2876563 0.83 DRD4 (1.00) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL654308 0.83 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL5542706 0.83 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL12385909 0.83 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL7512967 0.83 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3L3MBTL1
Hydrochloric Acid SCHEMBL9742129 0.81 DRD4 (0.74) DRD4SIGMAR1HTR2AHTR2CHTR2B

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 DRD4 368/4885SIGMAR1 234/4885HTR2A 4120/4885

“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.