SCHEMBL5542172

SCHEMBL5542172

[CH2]CCCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TEAD3 Q99594 1/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CYP2C19 P33261 1/20 0.52
CA9 Q16790 2/20 0.52
HTR2A P28223 2/20 0.51
OPRM1 P35372 2/20 0.51
HRH1 P35367 2/20 0.51
HTR1A P08908 1/20 0.51
DRD4 P21917 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50

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
SCHEMBL27610472 0.99 NPSR1 (0.54) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5536999 0.96 MEN1 (0.57) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5151317 0.91 MEN1 (0.59) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22788750 0.88 MEN1 (0.57) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5540188 0.87 HRH2 (0.52) KMT2ACA1CA2CA7CYP2C19
SCHEMBL5541594 0.87 HRH1 (0.55) NPSR1MEN1KMT2ACA1CA2
SCHEMBL29234163 0.87 MEN1 (0.56) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27629467 0.87 SIGMAR1 (0.56) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5544670 0.87 GRIN2B (0.51) CYP2C19HTR2AOPRM1HRH1HTR1A
SCHEMBL5537253 0.87 MEN1 (0.48) MEN1KMT2AHRH1HTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPSR1 747/4885MEN1 3295/4885KMT2A 4267/4885

“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.