SCHEMBL5542785

SCHEMBL5542785

Clc1ccc(C2CSCC[N]2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
BACE1 P56817 1/20 0.40
SLC6A2 P23975 7/20 0.34
SLC6A3 Q01959 7/20 0.34
SLC6A4 P31645 6/20 0.34
CYP2D6 P10635 5/20 0.34
KCNH2 Q12809 5/20 0.34
MAOB P27338 3/20 0.32

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
SCHEMBL3168644 0.74 KDM1A (0.38) BACE1SLC6A2SLC6A3SLC6A4
SCHEMBL3153886 0.72 TAAR1 (0.42) TAAR1MAOB
SCHEMBL9864166 0.72 SLC6A2 (0.46) TAAR1BACE1SLC6A2SLC6A3SLC6A4
SCHEMBL3121546 0.70 SLC6A2 (0.51) TAAR1BACE1SLC6A2SLC6A3SLC6A4
SCHEMBL5537122 0.69 HTR2C (0.43)
SCHEMBL6694920 0.69 TAAR1 (0.42) TAAR1BACE1SLC6A2SLC6A3SLC6A4
SCHEMBL9864544 0.69 TAAR1 (0.42) TAAR1BACE1SLC6A2SLC6A3SLC6A4
SCHEMBL9164760 0.67 MAOA (0.43) MAOB
SCHEMBL5542791 0.67 SLC6A2 (0.41) BACE1SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL9864341 0.66 SLC6A2 (0.45) TAAR1BACE1SLC6A2SLC6A3SLC6A4

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 5 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
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 TAAR1 364/4885BACE1 3399/4885SLC6A2 3396/4885

“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.