SCHEMBL5542276

SCHEMBL5542276

Cc1ccc(CC[C]=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.42
TAAR1 Q96RJ0 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNF P01375 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6210048 0.89 PYCR1 (0.40) PYCR1TAAR1RAB9ANPC1KDM4E
SCHEMBL98214 0.84 TAAR1 (0.57) TAAR1RAB9ANPC1KDM4EALDH1A1
SCHEMBL6547406 0.80 TAAR1 (0.48) PYCR1TAAR1RAB9ANPC1KDM4E
SCHEMBL1611194 0.80 PYCR1 (0.42) PYCR1TAAR1RAB9ANPC1KDM4E
SCHEMBL1758623 0.79 PYCR1 (0.44) PYCR1TAAR1RAB9ANPC1KDM4E
SCHEMBL8036416 0.77 TAAR1 (0.42) PYCR1TAAR1RAB9ANPC1KDM4E
SCHEMBL910442 0.75 TAAR1 (0.54) TAAR1ALDH1A1MEN1KMT2AGAA
SCHEMBL598097 0.74 TAAR1 (0.43) PYCR1TAAR1RAB9ANPC1KDM4E
SCHEMBL28480956 0.73 PYCR1 (0.43) PYCR1TAAR1RAB9ANPC1KDM4E
SCHEMBL11587172 0.73 TDP2 (0.30)

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 7 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
US-4370332-A MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4292320-A SMOOTH MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-09-29 US 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 PYCR1 783/4885TAAR1 364/4885RAB9A 2824/4885

“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.