SCHEMBL5543914

SCHEMBL5543914

[CH2]CN(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.43
P2RX1 P51575 1/20 0.36
IDO1 P14902 2/20 0.35
CES2 O00748 1/20 0.34
S1PR1 P21453 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5538898 0.81 CETP (0.42) IDO1CES2ALDH1A1
SCHEMBL5281174 0.81 TACR1 (0.44) TACR1P2RX1IDO1CES2S1PR1
Hydrochloric Acid SCHEMBL6654049 0.79 TACR1 (0.43) TACR1P2RX1IDO1CES2S1PR1
SCHEMBL2099195 0.79 KIF11 (0.43) IDO1CES2ALDH1A1
SCHEMBL5538967 0.76 CYP3A4 (0.38) TACR1IDO1CES2S1PR1RXRA
SCHEMBL657091 0.75 TACR1 (0.43) TACR1P2RX1IDO1CES2S1PR1
SCHEMBL7694014 0.75 TACR1 (0.43) TACR1P2RX1IDO1CES2S1PR1
SCHEMBL18794873 0.73 TACR1 (0.52) TACR1P2RX1CES2RXRARXRB
SCHEMBL8697928 0.72 NR1H2 (0.56) TACR1ALDH1A1
SCHEMBL18794847 0.72 TACR1 (0.48) TACR1P2RX1CES2

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 TACR1 1465/4885P2RX1 3734/4885IDO1 3181/4885

“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.