SCHEMBL5542894

SCHEMBL5542894

Cc1cc(C)c(C2=CCNCC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.47
HTR2C P28335 8/20 0.47
HTR2A P28223 5/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
RAD52 P43351 1/20 0.47
HTR7 P34969 5/20 0.47
HTR1B P28222 1/20 0.47
HTR3A P46098 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
QDPR P09417 2/20 0.43

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
SCHEMBL6075589 0.81 HTR2C (0.55) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL5319444 0.78 SIGMAR1 (0.57) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL7396564 0.78 HTR6 (0.51) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL5542320 0.77 HTR2C (0.49) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL31700577 0.76 HTR6 (0.39) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL24669513 0.75 HTR6 (0.46) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL5761034 0.73 HTR6 (0.36) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL4671168 0.72 HTR2C (0.66) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL5322628 0.71 SIGMAR1 (0.58) HTR6HTR2CHTR2AMAPTHTR7
Hydrochloric Acid SCHEMBL7290341 0.71 HTR2C (0.67) HTR6HTR2CHTR2AMAPTKDM4E

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 HTR6 3976/4885HTR2C 2910/4885HTR2A 4120/4885

“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.