SCHEMBL5543412

SCHEMBL5543412

CCCCNC1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.49
HRH4 Q9H3N8 4/20 0.41
CYP2C9 P11712 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
DPP4 P27487 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36

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
SCHEMBL5540040 0.95 VCP (0.46) VCPHRH4CYP2C9HRH3SUV39H2
SCHEMBL5538029 0.94 GNAI3 (0.45) VCPHRH4SUV39H2GNAI3GNAO1
SCHEMBL5537860 0.91 VCP (0.40) VCPDRD2DRD3DPP4CARM1
SCHEMBL5535481 0.84 HSP90AA1 (0.41) VCPDRD2DPP4CARM1PRMT6
SCHEMBL26985958 0.81 OPRK1 (0.40) VCPHRH4DPP4CARM1PRMT6
SCHEMBL26986049 0.81 VCP (0.41) VCPDRD2CARM1PRMT6PRMT8
SCHEMBL5924898 0.77 HRH4 (0.47) VCPHRH4DPP4
SCHEMBL7016795 0.75 HRH4 (0.55) VCPHRH4SUV39H2CARM1PRMT6
SCHEMBL5541618 0.75 HRH4 (0.39) HRH4
SCHEMBL5540075 0.74 SMN1; SMN2 (0.40) VCPDRD3HDAC3HDAC8DPP4

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
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
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 VCP 4850/4885HRH4 426/4885CYP2C9 2351/4885

“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.