SCHEMBL5543824

SCHEMBL5543824

Clc1cc(C2CCNCC2)cc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
QDPR P09417 1/20 0.46
HTR2C P28335 8/20 0.44
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PTPN5 P54829 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
PLG P00747 1/20 0.37

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
SCHEMBL15516459 0.84 ALDH1A1 (0.43) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24067500 0.83 SLC18A3 (0.64) SLC18A3SIGMAR1QDPRHTR2CHTR3A
SCHEMBL19703082 0.82 HTR2C (0.46) HTR2CHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL373671 0.80 SLC18A3 (0.50) SLC18A3SIGMAR1QDPRHTR2CHTR3A
SCHEMBL15516914 0.79 SLC6A2 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19703134 0.79 HTR2C (0.50) SLC18A3SIGMAR1QDPRHTR2CHTR3A
SCHEMBL2711302 0.79 SLC6A2 (0.64) SLC18A3SIGMAR1QDPRHTR2CHTR3A
Hydrochloric Acid SCHEMBL19695359 0.78 SLC18A3 (0.48) SLC18A3SIGMAR1QDPRHTR2CHTR3A
Hydrochloric Acid SCHEMBL2160176 0.78 SLC6A2 (0.62) SLC18A3SIGMAR1QDPRHTR2CHTR3A
SCHEMBL15602523 0.77 SLC18A3 (0.47) SLC18A3SIGMAR1QDPRHTR2CHTR3A

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 SLC18A3 4220/4885SIGMAR1 234/4885QDPR 603/4885

“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.