SCHEMBL5537589

SCHEMBL5537589

[CH2]CCCCN1CCC(Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
TEAD1 P28347 1/20 0.45
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
FPR2 P25090 1/20 0.44
PROKR1 Q8TCW9 1/20 0.44
LIPE Q05469 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ESR1 P03372 2/20 0.42
LTA4H P09960 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
EPHX2 P34913 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A5 Q9Y345 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
SCHEMBL5543304 0.99 ADRB2 (0.47) ADRB2TEAD1CARM1PRMT6FPR2
SCHEMBL5545720 0.96 ADRB2 (0.49) ADRB2TEAD1CARM1PRMT6FPR2
SCHEMBL5537269 0.92 ADRB2 (0.52) ADRB2TEAD1CARM1PRMT6FPR2
SCHEMBL11938942 0.85 SLC6A5 (0.53) ADRB2TEAD1CARM1PRMT6FPR2
SCHEMBL5540260 0.85 TP53 (0.51) CARM1PRMT6HRH3LTA4HEPHX2
SCHEMBL5541704 0.85 ADRB2 (0.53) ADRB2TEAD1CARM1PRMT6FPR2
SCHEMBL5536390 0.84 TP53 (0.50) CARM1PRMT6HRH3LTA4HEPHX2
SCHEMBL5543690 0.82 ADRB2 (0.54) ADRB2TEAD1CARM1PRMT6FPR2
SCHEMBL11932473 0.82 ADRB2 (0.47) ADRB2CARM1PRMT6FPR2PROKR1
SCHEMBL5545936 0.82 CARM1 (0.61) CARM1PRMT6HRH3

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 ADRB2 149/4885TEAD1 3059/4885CARM1 1867/4885

“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.