SCHEMBL5537698

SCHEMBL5537698

CNC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
CYP3A4 P08684 3/20 0.49
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
DEGS1 O15121 1/20 0.45
AKR1C3 P42330 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MCHR1 Q99705 2/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
MLYCD O95822 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL15719824 0.90 NOTUM (0.55) NOTUMCYP3A4HRH4MCHR1CHRM1
SCHEMBL24123764 0.85 HRH3 (0.47) HRH4HRH3CA12CA2CA9
SCHEMBL15720058 0.81 NOTUM (0.49) NOTUMHRH4MCHR1CHRM1CHRM3
SCHEMBL2056103 0.81 NOTUM (0.54) NOTUMCYP3A4HRH4HRH3CA12
SCHEMBL784590 0.81 MAPT (0.53) NOTUMHRH3DEGS1CHRM1
SCHEMBL12059415 0.80 EPHX2 (0.49) NOTUMCA12CA2CA9EPHX2
SCHEMBL5547938 0.80 CASR (0.50) KCNH2EPHX2
SCHEMBL946519 0.80 HRH3 (0.52) NOTUMCYP3A4HRH4HRH3CA12
SCHEMBL8728954 0.79 ADRB1 (0.50) HRH4AKR1C3GPR119MCHR1
SCHEMBL3440289 0.79 MAPT (0.55) HRH4MCHR1

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 NOTUM 3827/4885CYP3A4 1683/4885HRH4 426/4885

“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.