SCHEMBL5544346

SCHEMBL5544346

[CH2]CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
HTR1A P08908 1/20 0.56
KCNA3 P22001 1/20 0.56
PARP1 P09874 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
SCHEMBL5539537 0.98 SIGMAR1 (0.61) SIGMAR1HTR1AKCNA3PARP1
SCHEMBL5541146 0.95 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL5544457 0.89 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL7297566 0.84 SIGMAR1 (0.63) SIGMAR1HTR1AKCNA3PARP1
SCHEMBL256663 0.84 SIGMAR1 (0.63) SIGMAR1HTR1AKCNA3PARP1
SCHEMBL5846286 0.83 SIGMAR1 (0.61) SIGMAR1HTR1APARP1
Hydrochloric Acid SCHEMBL7299927 0.83 SIGMAR1 (0.61) SIGMAR1HTR1AKCNA3PARP1
SCHEMBL9867159 0.83 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL9726233 0.83 SIGMAR1 (0.61) SIGMAR1HTR1AKCNA3
SCHEMBL14601668 0.83 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3

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 4 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
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 SIGMAR1 234/4885HTR1A 4141/4885KCNA3 2189/4885

“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.