SCHEMBL5535930

SCHEMBL5535930

O=CNCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
CYP2D6 P10635 2/20 0.52
ADRA2C P18825 2/20 0.52
SLC6A2 P23975 2/20 0.52
HTR2C P28335 2/20 0.52
SLC6A4 P31645 2/20 0.52
OPRM1 P35372 2/20 0.52
DRD3 P35462 2/20 0.52
CASR P41180 2/20 0.52
ADRB1 P08588 2/20 0.52
MLNR O43193 1/20 0.52
ABCB11 O95342 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52
CHRM3 P20309 1/20 0.52
GLRA1 P23415 1/20 0.52
AVPR2 P30518 1/20 0.52

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
SCHEMBL5540234 0.95 HDAC1 (0.54) TAAR1HDAC1HDAC8CYP2D6ADRA2C
SCHEMBL5543041 0.91 TAAR1 (0.56) TAAR1HDAC1HDAC8CYP2D6HTR2C
SCHEMBL9989291 0.85 TAAR1 (0.61) TAAR1HDAC1HDAC8CYP2D6ADRA2C
SCHEMBL7870943 0.83 TAAR1 (0.57) TAAR1HDAC1HDAC8CYP2D6ADRA2C
SCHEMBL8092954 0.81 SIGMAR1 (0.64) TAAR1HDAC1HDAC8CYP2D6ADRA2C
SCHEMBL19399695 0.81 TAAR1 (0.56) TAAR1HDAC1HDAC8CYP2D6ADRA2C
SCHEMBL568256 0.81 ADH1B (0.53) TAAR1HDAC1CYP2D6HTR2CCYP1A2
SCHEMBL5538860 0.81 HDAC1 (0.50) TAAR1HDAC1HDAC8MIFCNR1
SCHEMBL6265706 0.80 SIGMAR1 (0.58) TAAR1HDAC1HDAC8CYP2D6ADRA2C
SCHEMBL66607 0.79 TAAR1 (0.61) TAAR1HDAC1HDAC8HTR2CHTR2B

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 TAAR1 364/4885HDAC1 322/4885HDAC8 993/4885

“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.